In Silico Analysis of the Apoptotic and HPV Inhibitory Roles of Some Selected Phytochemicals Detected from the Rhizomes of Greater Cardamom
Apoptosis; Docking; HPV; In silico analysis; Large cardamom; Phytochemicals
Occurrence of cervical cancer, caused due to persistent human papilloma virus (HPV) infection, is common in women of developing countries. As the conventional treatments are expensive and associated with severe side effects, there is a need to find safer alternatives, which is affordable and less toxic to the healthy human cells. Present study aimed to evaluate the anti-HPV and apoptotic potential of four compounds from the greater cardamom (Amomum subulatum Roxb. var. Golsey), namely rhein, phytosphingosine, n-hexadecenoic acid and coronarin E. Their anti-HPV and apoptotic potential were studied against viral E6, E7 and few anti-apoptotic proteins of host cell (BCL2, XIAP, LIVIN) by in silico docking technique. Phytochemicals from the plant extract were analysed and identified by LC/MS and GC/MS. Involvement of the target proteins in various biological pathways was determined through KEGG. Structural optimization of the three-dimensional structures of the ligands (four phytochemicals and control drug) was done by Avogadro1.1. Receptor protein models were built using ProMod3 and other advanced tools. Pharmacophore modelling of the selected phytochemicals was performed in ZINCPharmer. Swiss ADME studies were undertaken to determine drug likeness. The ligands and proteins were digitally docked in DockThor docking program. Protein flexibility-molecular dynamic simulation helped to study proteinligand stability in real time. Finally, the correlation of evaluated molecules was studied by the use of principal component analysis (PCA) based on the docking scores. All the ligands were found to possess apoptotic and anti-cancer activities and did not violate Lipinsky criteria. n-Hexadecanoic acid and its analogues showed maximum efficacy against the target proteins. All the proteinligand interactions were found to be stable. The uncommon phytochemicals identified from rhizomes of greater cardamom have anti-cancer, apoptotic and HPV inhibitory potentials as analysed by docking and other in silico studies, which can be utilized in drug development after proper experimental validation. 2022, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
Applied Biochemistry and Biotechnology, Vol-194, No. 10, pp. 4867-4891.
All Open Access; Bronze Open Access; Green Open Access
Nag A., Department of Life Sciences, CHRIST (Deemed to Be University), Bangalore, India; Verma P., Laboratory of Advanced Cell Biology, Department of Botany, University of Calcutta, 35 Ballygunge Circular Road, West Bengal, Kolkata, 700019, India; Paul S., Institute of Health Sciences, Presidency University, 2Nd Campus, Kolkata, Newtown, India; Kundu R., Laboratory of Advanced Cell Biology, Department of Botany, University of Calcutta, 35 Ballygunge Circular Road, West Bengal, Kolkata, 700019, India
In Silico Identification of 1-DTP Inhibitors of Corynebacterium diphtheriae Using Phytochemicals from Andrographis paniculata
Andrographis paniculata (Burm. f.) Wall. ex Nees; andrographiside and phytochemicals; autodock; bisandrographolide; diphtheria toxin
A number of phytochemicals have been identified as promising drug molecules against a variety of diseases using an in-silico approach. The current research uses this approach to identify the phyto-derived drugs from Andrographis paniculata (Burm. f.) Wall. ex Nees (AP) for the treatment of diphtheria. In the present study, 18 bioactive molecules from Andrographis paniculata (obtained from the PubChem database) were docked against the diphtheria toxin using the AutoDock vina tool. Visualization of the top four molecules with the best dockscore, namely bisandrographolide (?10.4), andrographiside (?9.5), isoandrographolide (?9.4), and neoandrographolide (?9.1), helps gain a better understanding of the molecular interactions. Further screening using molecular dynamics simulation studies led to the identification of bisandrographolide and andrographiside as hit compounds. Investigation of pharmacokinetic properties, mainly ADMET, along with Lipinskis rule and binding affinity considerations, narrowed down the search for a potent drug to bisandrographolide, which was the only molecule to be negative for AMES toxicity. Thus, further modification of this compound followed by in vitro and in vivo studies can be used to examine itseffectiveness against diphtheria. 2023 by the authors.
Al-Khayri J.M.; Dubey S.; Thirumoorthy G.; Nagella P.; Rezk A.A.-S.; Shehata W.F.
All Open Access; Gold Open Access; Green Open Access
ISSN: 14203049; PubMed ID: 36677967; CODEN: MOLEF
https://doi.org/10.3390/molecules28020909 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146691023&doi=10.3390%2fmolecules28020909&partnerID=40&md5=1b712bc5cb2282fd6622a66a1b5c72d4
Al-Khayri J.M., Department of Plant Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, 31982, Saudi Arabia; Dubey S., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bengaluru, 560029, India; Thirumoorthy G., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bengaluru, 560029, India; Nagella P., Department of Life Sciences, CHRIST (Deemed to Be University), Karnataka, Bengaluru, 560029, India; Rezk A.A.-S., Department of Plant Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, 31982, Saudi Arabia, Virus & Phytoplasma Research Department, Plant Pathology Research Institute, Agricultural Research Center, Giza, 3725005, Egypt; Shehata W.F., Department of Plant Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, 31982, Saudi Arabia
In silico molecular docking study of Andrographis paniculata phytochemicals against TNF-? as a potent anti-rheumatoid drug
Andrographidine C; Andrographis paniculata; molecular docking; phytochemicals; Rheumatoid arthritis; Swiss ADME; TNF-?; toxicity study
Tumor necrosis factor-? (TNF-?) is a proinflammatory cytokine which plays a crucial role in controlling inflammatory responses. The pathway of Rheumatoid arthritis (RA) leading to TNF-alpha is activated by macrophages and quite often by natural killer cells and lymphocytes. In the inflammatory phase, it is believed to be the main mediator and to be anchored with the progression of different diseases such as ankylosing spondylitis, Crohn's disease, and Rheumatoid arthritis (RA). The major goal of this study is to use in silico docking studies to investigate the anti-inflammatory potential of a bioactive molecule from the medicinal plant Andrographis paniculata. The three-dimensional structures of different phytochemicals of A. paniculata were obtained from PubChem database, and the receptor protein was derived from PDB database. Docking analysis was executed using AutoDock vina, and the binding energies were compared. Bisandrographolide A and Andrographidine C revealed the highest score of ?8.6 Kcal/mol, followed by, Neoandrographolide (?8.5 Kcal/mol). ADME and toxicity parameters were evaluated for these high scoring ligands and results showed that Andrographidine C could be a potent drug, whereas Neoandrographolide and Bisandrographolide A can be modified in invitro and can lead to a promising drug. Further, the top scorer (Andrographidine C) and control drug (Leflunomide) were subjected to 100 ns MD Simulation. The protein complex with Andrographidine C had more stable confirmation with lower RMSD (0.28 nm) and higher binding energy (?133.927 +/? 13.866 kJ/mol). In conclusion, Andrographidine C may be a potent surrogate to the disease-modifying anti-rheumatic drugs (DMARDs) & Non-steroidal anti-inflammatory drugs (NSAIDs) that has fewer or minor adverse effects and can aid in RA management. 2022 Informa UK Limited, trading as Taylor & Francis Group.
Tarachand S.P.; Thirumoorthy G.; Lakshmaiah V.V.; Nagella P.
Journal of Biomolecular Structure and Dynamics, Vol-41, No. 7, pp. 2687-2697.
ISSN: 7391102; PubMed ID: 35147481; CODEN: JBSDD
Tarachand S.P., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Thirumoorthy G., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Lakshmaiah V.V., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Nagella P., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India
In silico studies of viral protein inhibitors of Marburg virus using phytochemicals from Andrographis paniculata
Andrographidine C; Andrographis paniculata; Bisandrographolide A; Marburg virus; toxicity; VP35; VP40 Dimer
The Marburg virus is a causative agent of Marburg hemorrhagic fever, which was discovered in Marburg, Germany, in 1967. It is a highly contagious and fatal disease transmitted by body fluids. The reservoir host is African fruit bats. Currently, there is no vaccine available to control this disease. Medicinal plants possess many phytochemicals of great therapeutic value. Many have antiviral properties and have been identified as promising drug molecules against various viral diseases proven with an in silico approach. The current research uses the in silico approach to identify the phyto-derived drugs from Andrographis paniculata to treat the Marburg virus. Twenty-four bioactive molecules from the A. paniculata plant were investigated against the targets VP35 and VP40 of Marburg viral proteins using the AutoDock Vina 1.1.2 tool. Out of 24 compounds, Andrographidine C, Andrographidine A, Andrographolactone, and 7-O-methylwogonin showed best docking scores for the target VP40 dimer while Bisandrographolide A, Luteolin Andrographolide, and Andrographiside showed best docking scores with VP35 protein. To determine the druglikeness, pharmacokinetic and pharmacodynamic properties and toxicity for each targets highest docking score compound was assessed using the Swiss absorption, distribution, metabolism, and excretion (ADME) and pkCSM tool. Andrographidine C and Andrographolide performed well in all the parameters of ADME and toxicity. These compounds are recommended as effective inhibitors of VP35 and VP40 of Marburg virus and potential antiviral drugs to treat the hemorrhagic disease. Furthermore, in vitro and in vivo studies can be used to examine the effectiveness and mode of action against the proteins of the Marburg virus. 2023 R. Hariprasath et al
Hariprasath R.; Akashpriya C.; Lakshmaiah V.V.; Praveen N.
Journal of Applied Biology and Biotechnology, Vol-11, No. 1, pp. 222-231.
https://doi.org/10.7324/JABB.2023.110121 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85142254397&doi=10.7324%2fJABB.2023.110121&partnerID=40&md5=739ac9b878a0968a083264a1bf63ce06
Hariprasath R., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, India; Akashpriya C., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, India; Lakshmaiah V.V., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, India; Praveen N., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, India
In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools
ACE2; Coronavirus; COVID-19; In silico study; Mutated spike; Spike-RBD
Background: This world is currently witnessing a pandemic outbreak of COVID-19? caused by a positive-strand RNA virus SARS-CoV-2. Millions have succumbed globally to the disease, and the numbers are increasing day by day. The viral genome enters into the human host through interaction between the spike protein (S) and host angiotensin-converting enzyme-2 (ACE2) proteins. S is the common target for most recently rolled-out vaccines across regions. A recent surge in single/multiple mutations in S region is of great concern as it may escape vaccine induced immunity. So far, the treatment regime with repurposed drugs has not been too successful. Hypothesis: Natural compounds are capable of targeting mutated spike protein by binding to its active site and destabilizing the spike-host ACE2 interaction. Materials and methods: A hypothetical mutated spike protein was constructed by incorporating twelve different mutations from twelve geographical locations simultaneously into the receptor-binding domain (RBD) and docked with ACE2 and seven phytochemicals namely allicin, capsaicin, cinnamaldehyde, curcumin, gingerol, piperine and zingeberene. Molecular Dynamic (MD) simulation and Principal Component Analysis (PCA) were finally used for validation of the docking results. Result: The docking results showed that curcumin and piperine were most potent to bind ACE2, mutated spike, and mutated spike-ACE2 complex, thereby restricting viral entry. ADME analysis also proved their drug candidature. The docking complexes were found to be stable by MD simulation. Conclusion: This result provides a significant insight about the phytochemicals' role, namely curcumin and piperine, as the potential therapeutic entities against mutated spike protein of SARS-CoV-2. 2021
Computers in Biology and Medicine, Vol-137
ISSN: 104825; PubMed ID: 34481181; CODEN: CBMDA
https://doi.org/10.1016/j.compbiomed.2021.104818 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85113962801&doi=10.1016%2fj.compbiomed.2021.104818&partnerID=40&md5=213321e78f5719ca89485aa2495e68a5
Nag A., Department of Life Sciences, CHRIST (Deemed to Be University), Bangalore, 560029, India; Paul S., School of Biotechnology, Presidency University, Canal Bank Rd, DG Block, Action Area 1D, New Town, 700156, West Bengal, India; Banerjee R., School of Biological and Environmental Sciences, Shoolini University, Solan, 173229, Himachal Pradesh, India; Kundu R., Department of Botany, University of Calcutta, 35, Ballygunge Circular Road, Kolkata, 700019, India
In situ fabricated MOF-cellulose composite as an advanced ROS deactivator-convertor: Fluoroswitchable bi-phasic tweezers for free chlorine detoxification and size-exclusive catalytic insertion of aqueous H2O2
Combining the merits of structural diversity, and purposeful implantation of task-specific functionalities, metal-organic frameworks (MOFs) instigate targeted reactive oxygen species (ROS) scavenging and concurrent detoxification via self-calibrated emission modulation. Then again, grafting of catalytically active sites in MOFs can benefit developing a greener protocol to convert ROS generators to technologically important building blocks, wherein tailorable MOF-composite fabrication is highly sought for practical applications, yet unexplored. The chemo-robust and hydrogen-bonded framework encompassing free -NH2 moiety affixed pores serves as an ultra-fast and highly regenerable fluoro-probe for selective detection of toxic ROS producers hypochlorite ion (ClO-) and H2O2 with record-level nanomolar sensitivity. While the bio-relevant antioxidant l-ascorbic acid (AA) imparts notable quenching to the MOF, a significant 3.5 fold emission enhancement with bi-phasic colorimetric variation ensues when it selectively scavenges ClO- from uni-directional porous channels through an unprecedented molecular tweezer approach. Apart from a battery of experimental evidence, density functional theory (DFT) results validate "on-off-on"fluoroswitching from redistribution of MOF orbital energy levels, and show guest-mediated exclusive transition from "Tight state"to "Loose state". The coordination frustrated metal site engineered pore-wall benefits the dual-functionalized MOF in converting the potential ROS generator H2O2via selective alkene epoxidation under mild-conditions. Importantly, sterically encumbered substrates exhibit poor conversion and demonstrate first-ever pore-fitting-induced size selectivity for this benign oxidation. Judiciously planned control experiments in combination with DFT-optimized intermediates provide proof-of-concept to the ionic route of ROS conversion. Considering an effective way to broaden the advanced applications of this crystalline material, reconfigurable MOF@cotton fiber (CF) is fabricated via in situ growth, which scavenges free chlorine and concomitantly squeezes it upon exposure to AA with obvious colorimetric changes over multiple real-life platforms. Furthermore, multi-cyclic alkene epoxidation by MOF@CF paves the way to futuristic continuous flow reactors that truly serves this smart composite as a bimodal ROS deactivator-convertor and explicitly denotes it as an advanced promising analogue from contemporary state-of-the-art materials. The Royal Society of Chemistry.
Goswami R.; Bankar B.D.; Rajput S.; Seal N.; Pillai R.S.; Biradar A.V.; Neogi S.
Journal of Materials Chemistry A, Vol-10, No. 8, pp. 4316-4332.
https://doi.org/10.1039/d1ta10504c https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125461429&doi=10.1039%2fd1ta10504c&partnerID=40&md5=56ee98dc875c34ff685139624a5fed6b
Goswami R., Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India, Inorganic Materials and Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute, Gujarat, Bhavnagar, 364002, India; Bankar B.D., Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India, Inorganic Materials and Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute, Gujarat, Bhavnagar, 364002, India; Rajput S., Inorganic Materials and Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute, Gujarat, Bhavnagar, 364002, India; Seal N., Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India, Inorganic Materials and Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute, Gujarat, Bhavnagar, 364002, India; Pillai R.S., Department of Chemistry, Christ University, Bangalore, 560029, India; Biradar A.V., Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India, Inorganic Materials and Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute, Gujarat, Bhavnagar, 364002, India; Neogi S., Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India, Inorganic Materials and Catalysis Division, CSIR-Central Salt and Marine Chemicals Research Institute, Gujarat, Bhavnagar, 364002, India
In situ growth of octa-phenyl polyhedral oligomeric silsesquioxane nanocages over fluorinated graphene nanosheets: super-wetting coatings for oil and organic sorption
Superhydrophobic surfaces offer significant advantages through their hierarchical micro/nanostructures, which create optimal surface roughness and low surface energy, making the development of robust surfaces essential for enhancing their physical and chemical stability. Here, we introduce in situ growth of octa-phenyl polyhedral oligomeric silsesquioxane (O-Ph-POSS) nanocages over multi-layered fluorinated graphene (FG) nanosheets through hydrolysis/condensation of phenyl triethoxysilane in an alkaline medium to produce a robust POSS-FG superhydrophobic hybrid. The efficient in situ growth of O-Ph-POSS nanocages over FG nanosheets was confirmed by FT-IR spectroscopy, PXRD, SEM, TEM, TG analysis, 29Si NMR spectroscopy, N2 adsorption-desorption isotherms and XP spectroscopy. The as-synthesized O-Ph-POSS over FG becomes superhydrophobic with a water contact angle (WCA) of 152 2 and a surface free energy (SFE) of 5.6 mJ m?2. As a result of the superhydrophobic property and robust nature of the POSS nanocage, O-Ph-POSS over FG nanosheets revealed the absorption capability for oils/organic solvents ranging from 200 to 500 wt% and were applied to coat onto the polyurethane (PU) sponge to effectively separate various oils and organic solvents from water mixtures, achieving separation efficiencies between 90% and 99%. Importantly, O-Ph-POSS-FG@Sponge still retained a separation efficiency of over 95% even after 25 separation cycles for hexane spill in water. The sponge efficiently separates toluene and chloroform using a vacuum pump, achieving flux rates of up to 20 880 and 12 184 L m?2 h?1, respectively. Weather resistance tests of O-Ph-POSS-FG@Sponge, prepared at intervals of 1 week and 1 year, showed that aged samples retained similar WCA values to freshly prepared sponges, confirming their long-term durability and performance. Mechanical stability assessments indicated that O-Ph-POSS-FG@Sponge maintained superhydrophobic properties, with WCA values of 151 2 for tape peeling and emery paper treatments and 150 2 for knife cutting, highlighting its excellent stability under physical deformation. Additionally, leveraging the exceptional resistance of O-Ph-POSS, the superhydrophobic O-Ph-POSS-FG@Sponge exhibited excellent stability and durability, even under supercooled and hot conditions during oil/water separation. Optical microscopy analysis of O/W and W/O emulsions, both stabilized by a surfactant, revealed complete droplet separation, further confirming the O-Ph-POSS-FG@Sponge's effectiveness for emulsion separation applications. The present work provides a straightforward method for the large-scale production of robust, superhydrophobic materials suitable for cleaning up oil spills on water surfaces. 2025 The Royal Society of Chemistry.
Loganathan P.; Yogapriya R.; Chinnusamy A.; Datta K.K.R.; Shanmugan S.
Dalton Transactions, Vol-54, No. 3, pp. 1150-1163.
ISSN: 14779226; PubMed ID: 39607365; CODEN: DTARA
https://doi.org/10.1039/d4dt02678k https://www.scopus.com/inward/record.uri?eid=2-s2.0-85211012498&doi=10.1039%2fd4dt02678k&partnerID=40&md5=28096af9539ed69b3a1e3957decc2750
Loganathan P., Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, Tamil Nadu, Kattankulathur, 603203, India, Department of Chemistry, Christ University, Karnataka, Bengaluru, 560029, India; Yogapriya R., Functional Nanomaterials Laboratory, Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, Tamil Nadu, Kattankulathur, 603203, India; Chinnusamy A., Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, Tamil Nadu, Kattankulathur, 603203, India; Datta K.K.R., Functional Nanomaterials Laboratory, Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, Tamil Nadu, Kattankulathur, 603203, India; Shanmugan S., Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, Tamil Nadu, Kattankulathur, 603203, India
In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate-DNA interactions
Deoxyribose nucleic acid; Fluorescence spectroscopy; Metal -DNA complex; Molecular docking; UV-Vis spectroscopy
Deoxyribose nucleic acid (DNA) is found to be the most efficient pharmacological target of many synthetic molecules which are deemed as potential drugs with clinical applications. DNA binding agents are known to regulate several cell functions (gene expression and replication) by adopting various protocols which include the annihilation of the cell membrane, interruption in protein synthesis, and irreversible binding to cell receptors. Recently, several studies have explored fundamental aspects of drug-DNA interactions, providing new insights into the driving forces that render the formation of the drug-DNA complex. In order to study and understand these biologically important reaction mechanisms, several screening tools have been devised and the specificity of drug molecules binding to DNA were studied in detail. This review will discuss the utilization of various analytical tools which include UV-vis spectroscopy, fluorescence spectroscopy, circular dichroism, viscosity measurement, Raman spectroscopy, cyclic voltammetry, and DNA fragmentation assay used for studying drug binding mode and the mechanism involved. 2023 Wiley-VCH GmbH.
Varghese N.; Jose J.R.; Krishna P.M.; Philip D.; Joy F.; Vinod T.P.; Prathapachandra Kurup M.R.; Nair Y.
https://doi.org/10.1002/slct.202203615 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85147379568&doi=10.1002%2fslct.202203615&partnerID=40&md5=fac960e4933ae3624ba8375cfdbf05c7
Varghese N., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Karnataka, Bengaluru, 560 029, India; Jose J.R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Karnataka, Bengaluru, 560 029, India; Krishna P.M., Department of Chemistry, Ramaiah institute of technology, MSRIT Post, M S Ramaiah Nagar, Karnataka, Bengaluru, 560054, India; Philip D., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Karnataka, Bengaluru, 560 029, India; Joy F., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Karnataka, Bengaluru, 560 029, India; Vinod T.P., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Karnataka, Bengaluru, 560 029, India; Prathapachandra Kurup M.R., Department of Applied Chemistry, Cochin university of science and technology, Kochi, 682022, India; Nair Y., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Karnataka, Bengaluru, 560 029, India
In vitro cytotoxicity studies of Ga2O3 microstructures on L929 and MCF-7 cell lines using MTT assay
Biomedical; Powder; Scanning electron microscopy (SEM); Toxicity; X-ray diffraction (XRD)
Considering the therapeutic promise of gallium, its compounds are currently undergoing preclinical and clinical development in different phases. In this work, Ga2O3 microstructures were synthesized using hydrothermal methods followed by calcination at (Formula presented.). For structural and morphological analysis, x-ray diffraction spectrum and field emission scanning electron microscopy images were used. In vitro cytotoxicity and in vitro anticancer effects of the sample were determined by cell culture imaging and MTT assay method. The studies were carried out on L929 and MCF-7 cell lines. The present study reveals the possibility of extending Ga2O3 for anticancer drug applications. The Author(s), under exclusive licence to The Materials Research Society 2024.
MRS Communications, Vol-14, No. 6, pp. 1359-1363.
https://doi.org/10.1557/s43579-024-00647-z https://www.scopus.com/inward/record.uri?eid=2-s2.0-85204723671&doi=10.1557%2fs43579-024-00647-z&partnerID=40&md5=11fa98a466bd0d91ae3cee9ca025963b
Raphael R., Optoelectronic and Nanomaterials Research Laboratory, Union Christian College, Kerala, Aluva, 683102, India; Aswathy W.F., Christ (Deemed to Be University), Karnataka, Bangalore, 560029, India; Anila E.I., Optoelectronic and Nanomaterials Research Laboratory, Union Christian College, Kerala, Aluva, 683102, India, Christ (Deemed to Be University), Karnataka, Bangalore, 560029, India
In vitro production of bacosides from Bacopa monnieri
Adventitious shoot; Bacopa monnieri; Bacoside A; Biomass; Cell suspension; Medicinal plant; Secondary metabolites
Bacopa monnieri (L.) Wettst. (Plantaginaceae) is an important Ayurvedic medicinal herb commonly known as brahmi, growing in the region of Indian subcontinent. Bacosides are the major chemical component having the major role in the biological and pharmacological field. Bacopa cultivation is time-consuming, requires labor team, and needs great efforts to maintain the quality of bacosides as growths are affected by environmental factors such as soil, water, temperature, climate, pests, and pathogens. To solve these problems, organ and cell cultures have been adopted for swift and efficient production of Bacopa biomass and bacosides. In the current chapter, various parameters, such as types of media, media composition, elicitors, salinity, drought, types of vessels used, and effect of heavy metals, were investigated against the in vitro production of bacosides from Bacopa monnieri. Springer Nature Singapore Pte Ltd. 2018.
Biotechnological Approaches for Medicinal and Aromatic Plants: Conservation, Genetic Improvement and Utilization, pp. 289-301.
Nagella P., Department of Life Sciences, Christ University, Bengaluru, India; Naik P.M., Department of Agricultural Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Hassa, Saudi Arabia; Al-Khayri J.M., Department of Agricultural Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Hassa, Saudi Arabia
In Vitro Production of Bioactive Compounds from Plant Cell Culture
Biosynthesis; CRISPR Cas9; Elicitation; Metabolic engineering; Plant cell culture; Plant secondary metabolites
Secondary metabolites (SMs) are bioactive compounds widely used in various industries as pharmaceutical agents and food additives and serve as precursor substances for the synthesis of commercially important products. These natural bioactive metabolites are quickly replacing chemicals as efficient coloring, flavoring, texturizing, and preservative agents. Productions of these SMs are hampered due to physiological and technological parameters. Although SMs do not have any significant role in the growth and development of the organisms where they are found, they have commercial importance. Humankind has harnessed its application in every walk of their life. In the medical field, SMs are used as antibiotics, antifungal, antiviral, metabolic inhibitors, anticancer agents, and many more. The biological and pharmacological benefits of medicinal plants are attributed to SM produced by subsidiary pathways that are highly specific to target molecules. Most pharmaceuticals are either directly or indirectly derived from plant sources. Production of SMs from field plants suffers from various limitations like seasonal production, choosing specific plant organs for specific metabolites, low yield, cost of purification, and seasonal variations. Biotechnological approaches such as plant cell, tissue, and organ cultures are the best alternative methods for commercial production. The current chapter focuses on establishment of plant cell culture system for the production of SMs, strategies to improve biomass yield and metabolite content, and biosynthetic pathways. The chapter also emphasizes elicitation strategies, application of CRISPR Cas9 in metabolite synthesis, large-scale production, and commercial aspects of SMs. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022.
Lakshmaiah V.V.; Banadka A.; Thirumoorthy G.; Naik P.M.; Al-Khayri J.M.; Nagella P.
Nutraceuticals Production from Plant Cell Factory, pp. 29-67.
Lakshmaiah V.V., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Banadka A., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Thirumoorthy G., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Naik P.M., Department of Botany, Karnatak University, Karnataka, Dharwad, India; Al-Khayri J.M., Department of Agricultural Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, Saudi Arabia; Nagella P., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India
Biosynthesis; In vitro production; Pharmacology; Plant secondary metabolite; Saponins
Plants have been utilized as food, feed, and fodder since the dawn of civilization. Plants are also thought to be a rich source of bioactive compounds with a variety of pharmacological actions. Saponins are one such group of molecules which are present in various plant species. As triterpenoid glycosides, they have a 30C oxidosqualene precursor aglycone moiety (sapogenin), which is then linked with glycosyl residues to form saponin. These saponins have a unique platform in the field of pharmaceutical and nutraceutical industries. Saponins are used for the treatment of various diseases which include cancer, diabetic, cardiac, hepatic, and nervous disorders. The production of saponins through conventional approaches is time-consuming and hard to extract pure compounds, and thus to achieve this, in vitro methods have been developed and enhanced the production and extraction of the metabolites. The present chapter focuses on the in vitro production of saponins through various tissue culture techniques such as shoot, callus, cell suspension, adventitious root, hairy root culture, and applications of bioreactors at commercial level. The chapter also focuses on biosynthetic pathway, extraction methods, and biological activities of saponins. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022.
Naik P.M.; Sudheer W.N.; Dubey S.; Ulhas R.S.; Praveen N.
Nutraceuticals Production from Plant Cell Factory, pp. 229-263.
Naik P.M., Department of Botany, Karnatak University, Karnataka, Dharwad, India; Sudheer W.N., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Dubey S., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Ulhas R.S., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Praveen N., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India
Biological activity; Biosynthesis; Elicitation strategies; Metabolic engineering; Plant cell and organ culture; Tocopherol
Tocopherols are an essential dietary nutrient for mammals and photosynthetic products produced by green plants. Tocopherols commonly referred to as vitamin E exist in four forms (?-, ?-, ?-, and ?-tocopherol). Synthetic ?-tocopherol is a mixture of eight racemic forms and is less effective than natural tocopherol, thus the demand for plant-derived tocopherols is high. Tocopherols are lipophilic antioxidant and extensively used as therapeutic agents such as anti-inflammatory, anti-infection, anticancer, immune-stimulant, and nephro-protectant. They are also used as food additives and nutraceuticals. Plant cell and tissue culture is one of the promising techniques for mass production of tocopherols to meet the commercial demand. Optimizing physical and chemical factors for in vitro culture system has resulted in better accumulation of the product. Moreover, using bioreactors, precursor feeding, elicitation, biotransformation, and metabolic engineering approaches have resulted in enhanced yield of tocopherols from in vitro cultures. The present chapter deals with various important aspects of tocopherol in vitro production such as biosynthesis of tocopherol with special emphasis on key enzymes involved in the pathway whose modulation in expression can increase the yield of the product. Topics discussed include production of tocopherol from callus, cell and organ culture, metabolic engineering for mass production, different methods employed for extraction and quantification of tocopherols, and their biological activities and commercial applications. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022.
Lakshmaiah V.V.; Joseph B.V.; Bhaskar R.; Ulhas R.S.; Al-Khayri J.M.; Nagella P.
Nutraceuticals Production from Plant Cell Factory, pp. 287-319.
Lakshmaiah V.V., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Joseph B.V., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Bhaskar R., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Ulhas R.S., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India; Al-Khayri J.M., Department of Agricultural Biotechnology, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, Saudi Arabia; Nagella P., Department of Life Sciences, CHRIST (Deemed to be University), Karnataka, Bengaluru, India
In vitro propagation and secondary metabolite production from Withania Somnifera (L.) dunal
Agrobacterium rhizogenes; Ashwagandha; Callus culture; Withaferin-A; Withania somnifera; Withanolide-A
Withania somnifera (L.) Dunal, commonly known as ashwagandha or Indian ginseng, is an important medicinal plant that belongs to the family Solanaceae. Ashwagandha has been used from time immemorial in different systems of medicine and extensively used in the Indian system of medicine, and there is discussion of this plant in different ayurvedic scripts like Charaka samhita, Ashtanga sangraha, etc. The plant is extensively used for anti-aging and general well-being, and also has anti-cancer potential. Ashwagandha is also known for its antioxidant, anti-inflammatory, and other therapeutic activities. In the recent days of Covid-19, the plant has been extensively used as an immunostimulant. The plant has great potential for its raw materials, especially for the extraction of bioactive molecules like withanolide-A, withaferin-A, withasomniferin, withanone, etc. The conventional mode of propagation could not meet the required commercial demand for either the pharmaceutical industries or the traditional practitioners. The conventional method of obtaining biomass is influenced by a large number of environmental factors, where biomass quality and quantity of bioactive molecules have shown variation. To overcome this, biotechnological approaches such as plant tissue culture techniques have been established for large-scale cultivation using micropropagation and also other techniques like a callus and cell suspension culture, shoot culture, adventitious root culture, and hairy root culture have been extensively used for in vitro production of bioactive molecules from ashwagandha. With the advent of metabolic engineering, biosynthetic pathway editing has made it possible to obtain higher yields of desired metabolites. The present chapter focuses on the in vitro propagation, biosynthesis of withanolides, and tissue culture strategies for obtaining high biomass and metabolites. The chapter also focuses on different elicitation strategies, metabolic engineering approaches, and the development of elite germplasms for improved metabolite content. The chapter also identifies research lacunas that need to be addressed for the sustainable production of important bioactive molecules from ashwagandha. 2024 Bentham Science Publishers. All rights reserved.
In Vitro Propagation and Secondary Metabolite Production from Medicinal Plants: Current Trends (Part 2), pp. 64-91.
Nagella P., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, 560029, India; Sudheer W.N., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, 560029, India; Banadka A., Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, Karnataka, 560029, India
In vivo, in vitro and in silico screening of a potent Angiotensin Converting Enzyme (ACE) inhibitor from Trigonella foenum-graecum extract using Zebrafish as a model organism to reduce hypertension
Angiotensin Converting Enzyme; Arachidonic acid; Hypertension; RAAS; Trigonella foenum-graecum; Zebrafish
The number of patients suffering from hypertension is on the rise worldwide and there is a need to explore natural products which can supplement current drugs to treat this disease. RAAS (Renin Angiotensin Aldosterone System) is one of the factors maintaining blood pressure. In the present investigation, we explored the potential of methanolic extract of fenugreek seeds in inhibiting Angiotensin Converting Enzyme (ACE), a key enzyme in the RAAS system, thereby reducing hypertension. In addition to in vivo studies conducted on zebrafish, in vitro and in silico studies were also performed to assess the inhibitory effect of the fenugreek extract on ACE. The bioactive components in Trigonella foenum-graecum revealed by GC-MS were further subjected to docking and binding studies with the receptor protein ACE. Of the various phytochemicals studied, arachidonic acid exhibited the maximum inhibitory effect on ACE. Thus, the present investigation was able to favorably screen a potent ACE inhibitor in Trigonella foenum-graecum extract which shows a potential to be used alone or supplemented with synthetic ACE inhibitors to treat high blood pressure. Further investigations are required to quantify the phytochemical for its inhibitory activity and also to understand the mechanism of inhibition of the enzyme. 2020 World Research Association. All rights reserved.
Research Journal of Biotechnology, Vol-15, No. 2, pp. 9-16.
Suresh T., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, 560029, India; Sarojini S., Department of Life Sciences, CHRIST (Deemed to be University), Bengaluru, 560029, India
In-Depth Review of Microeconomic Analysis of Business Tourist Spending
Business tourists; Destination-related factors; Economic modelling destination atmospherics; Microeconomic analysis; Psychological factors; Spending; Tourist; Zone of tolerance
Most prior research used tourist arrivals to examine international tourism demand. However, tourist arrival is not an accurate factor to determine international tourism demand as it does not show the actual spending pattern of tourists which includes goods and services purchased. Literature has proven that business tourists always spend more than leisure tourists; thus, tourist expenditure is an essential measure of international tourism demand. For the current research, we summarised 31 studies to review several variables that could affect tourism demand and expenditure. The current research concludes that microeconomic modelling should be the focus and given priority for studying tourism demand and the factors that affect business tourist expenditure. The Author(s) 2018.
Asia-Pacific Journal of Innovation in Hospitality and Tourism, Vol-7, No. 2, pp. 39-50.
Kumar J., Taylors University, Malaysia; Garg A., Taylors University, Malaysia; Fukey L.N., Christ University, India
In-phase, out-of-phase, bottom-wall two-frequency boundary temperature modulations on the onset of Rayleigh-Bard convection
bottom-wall; boundary temperature; in-phase; out-of-phase; wave types
The onset of convection in a Newtonian liquid-containing system is investigated using a two-frequency boundary temperature. The consequences of three types of two-frequency boundary temperature modulations have been thoroughly investigated: (i) in-phase, (ii) out-of-phase, and(iii) bottom-wall. The combined effect of two frequencies with sinusoidal and nonsinusoidal wave types is also documented under these various types of boundary temperature modulations. To facilitate the study, the Venezian method is approvedand the critical Rayleigh number and its correction are calculated. The parameters resulting from the study's two frequencies of modulation are the mixing angle, (Formula presented.), the amplitudes, (Formula presented.), and the set of coprime integers, (Formula presented.). The system's thermodynamics determines the range of these parameters. The research discovered that out-of-phase two-frequency boundary temperature modulation is the most stable, while in-phase is the least stable. Besides that, any combination of wave type with square wave type yields the most excellent stability. Furthermore, the two-frequency boundary temperature modulation is more stable than the single-frequency and no-modulation cases. 2022 Wiley Periodicals LLC.
Heat Transfer, Vol-52, No. 1, pp. 826-853.
https://doi.org/10.1002/htj.22718 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139705171&doi=10.1002%2fhtj.22718&partnerID=40&md5=07d7026b12c0b290392284fe105cd191
Mathew A., Department of Mathematics, Centre for Mathematical Needs, CHRIST (Deemed to be University), Bengaluru, India; Pranesh S., Department of Mathematics, Centre for Mathematical Needs, CHRIST (Deemed to be University), Bengaluru, India
In-plant production of bricks containing waste foundry sandA study with Belgaum foundry industry
Bulk density; Compressive strength; Porosity; Specific gravity; WFS; XPS
The main objective of this study is to utilize waste foundry sand (WFS) from Belgaum foundry industry in manufacturing of bricks. The process involved production of bricks in a fully functioning brick manufacturing plant, which has a production capacity of approximately 50000 bricks per month. The entire process of combining clay-sand mixtures, forming of bricks, drying and firing was done with local conditions. With minimum process it was possible to introduce upto 50% WFS in clay bodies to produce bricks of desirable properties. The minimum average wet compression resistance of 3.3 Mpa, and maximum average water absorption of 21.6% was obtained for bricks containing 50% WFS, when fired at 900 C. There was insignificant difference in apparent porosity, water absorption, and specific gravity of bricks containing WFS, when compared to commercial bricks. The addition of WFS reduced the bulk density of the bricks, which has also caused reduction in compressive strength. WFS bricks can be classified as class III bricks, based on recommendations of IS 1077 standard specification. These bricks can be used in single storied load bearing structures, and also in the construction of infill walls in multi-storied framed structures. The structure, composition, and morphology of the raw materials, as well as bricks were studied by XRD, XPS, and SEM, respectively. 2018 The Authors
Hossiney N.; Das P.; Mohan M.K.; George J.
Case Studies in Construction Materials, Vol-9
https://doi.org/10.1016/j.cscm.2018.e00170 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85047334990&doi=10.1016%2fj.cscm.2018.e00170&partnerID=40&md5=15a6a1a753a0d386950f16ffef0d6cbf
Hossiney N., Department of Civil Engineering, Christ University, Kengeri Campus, Mysore Road, Bangalore, 560074, Karnataka, India; Das P., Department of Civil Engineering, Christ University, Kengeri Campus, Mysore Road, Bangalore, 560074, Karnataka, India; Mohan M.K., Department of Civil Engineering, Christ University, Kengeri Campus, Mysore Road, Bangalore, 560074, Karnataka, India; George J., Department of Civil Engineering, Christ University, Kengeri Campus, Mysore Road, Bangalore, 560074, Karnataka, India
In-Vitro Investigation of the ?-Amylase Inhibition Activity of Bare Bis-Benzylidene-Cyclohexanone Synthesized by a Highly Selective Solvent-Free Route
Enzyme Inhibition; Molecular Dynamic Simulation; MWCNT; Sulfonic acid; TPD
Current work reports the highly selective, solvent-free synthesis of an endorsed bioactive compound, Bis benzylidine cyclohexanone (BBC) through solid acid catalysed cross aldol condensation route and checks its in-vitro bio activity. The catalytic support (Multiwalled carbon nanotube) employed was synthesized through the highly sophisticated catalytic chemical vapor deposition (CVD) method and simple mechanical grinding strategy was adopted to decorate sulfonic acid on the support. The C1s X-ray photoelectron peak of at 290.3 eV confirms the effective interaction of sulfonic acid with MWCNT. The sharp and intense desorption peaks observed at approximately 528.7 C and 655.15 C in the TPD analysis unmistakably substantiate the strong acidity of the synthesized system. The alpha amylase inhibition activity of the synthesized compound was calculated to be around 88.5 %, which is in par with the commercial drug as it could inhibit only 96 %. Further, the in-silico (Docking and Molecular Dynamic Simulation) investigations unveiled a new target site for the compound and this can further be studied in detail to advance the applications in drug design. Detailed scrutiny of various parameters was conducted to validate the bioactivity and pharmaceutical potential of the synthesized compound. 2023 Wiley-VCH GmbH.
Veigas L.M.; Ravi L.; Narasimhaiaha N.; Chundattu S.J.; Nagaraju K.; Krishna Mohan M.
https://doi.org/10.1002/slct.202301807 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179749961&doi=10.1002%2fslct.202301807&partnerID=40&md5=de298401fd5f01c553aa8d0b62860ee5
Veigas L.M., Department of Sciences and Humanities, Christ (Deemed to be University), School of Engineering and Technology, Mysore Road, Karnataka, Bengaluru, 560074, India; Ravi L., Department of Food Technology, Faculty of Life and Allied Health Sciences, MS Ramaiah University of Applied Sciences, Karnataka, Bengaluru, 560054, India; Narasimhaiaha N., St. Joseph's University, Lalbagh Road, Karnataka, Bengaluru, 560027, India; Chundattu S.J., Department of Sciences and Humanities, Christ (Deemed to be University), School of Engineering and Technology, Mysore Road, Karnataka, Bengaluru, 560074, India; Nagaraju K., CIIRC, Jothy Institute of Technology, Tataguni, Off Kanakapura Road, Karnataka, Bengaluru, 560082, India; Krishna Mohan M., Department of Sciences and Humanities, Christ (Deemed to be University), School of Engineering and Technology, Mysore Road, Karnataka, Bengaluru, 560074, India
Inclined magnetic field and nanoparticle aggregation effects on thermal Marangoni convection in nanoliquid: A sensitivity analysis
Marangoni boundary layer flow; Nanofluid and heat transfer; Nanoparticle aggregation; Nanoparticles; Response surface methodology; Sensitivity analysis
The heat transfer rate of thermal Marangoni convection in ethylene glycol-based titanium nanoliquid is analyzed by using the Response Surface Methodology (RSM). Two different heat sources (i.e. the temperature-related heat source (THS) and the space-related exponential heat source (ESHS)) are included in the thermal analysis. Aggregation of nanoparticles and inclined magnetism are also considered. The modified Krieger-Dougherty model and the modified Maxwell-Bruggeman model are used to analyze the aggregation aspect of the nanoparticles. The resulting nonlinear system is treated numerically by using the finite difference method. The sensitivity of the heat transfer rate to the thermal radiation parameter, the ESHS parameter, and the THS parameter is examined by using the RSM model. The individual impact of the actual parameters on various flow fields is compared and visualized by graphs. The heat transfer rate is positively sensitive to thermal radiation and negatively sensitive to the parameters of the heat source. Besides, the ESHS aspect has a greater impact on the heat transfer rate than the THS aspect. The velocity flow field is decelerated significantly (5.31%near the interface) by the magnetic field inclination angle. 2020 The Physical Society of the Republic of China (Taiwan)
Chinese Journal of Physics, Vol-69, pp. 24-37.
Physical Society of the Republic of China
https://doi.org/10.1016/j.cjph.2020.11.006 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097458761&doi=10.1016%2fj.cjph.2020.11.006&partnerID=40&md5=6fab55f56e756ac4f02b7c7b420c7ddb
Mackolil J., Department of Mathematics, CHRIST (Deemed to be University), Bengaluru, 560029, Karnataka, India; Mahanthesh B., Department of Mathematics, CHRIST (Deemed to be University), Bengaluru, 560029, Karnataka, India