Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Faculty Publications Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Creator An entity primarily responsible for making the resource Tiwari, Ashish Kumar; SK, Vaishnu; Karthikeyan, Mano Chitra; Narayanan, Mohankumar; Garg, Mohit; Arockiam, Antony Joseph Velanganni; Manoharan, Natesan; Manoharan, Vishnu Varma; Anjali, R.; Menon, Revathi S; Nallasivam, Jothi L.; Biju, V.M. Title A name given to the resource Exploration of aldazine Schiff bases as promising bioactive agents: A synergistic approach using DFT, ADME, antibacterial and cytotoxicity analysis Date A point or period of time associated with an event in the lifecycle of the resource 01-01-2026 Source A related resource from which the described resource is derived Journal of Molecular Structure;Volume;1349;Issue;;Article No.;143754; Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.molstruc.2025.143754" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.molstruc.2025.143754</a> <br /><br /><a href="https://www.scopus.com/pages/publications/105015062281?origin=resultslist" target="_blank" rel="noreferrer noopener">https://www.scopus.com/pages/publications/105015062281?origin=resultslist</a> Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Tiwari A.K., Department of Chemistry, National Institute of Technology, Tamil Nadu, Tiruchirappalli, 620015, India; SK V., Department of Chemical Engineering, Birla Institute of Technology and Science, Rajasthan, Pilani, 333031, India; Karthikeyan M.C., Molecular Oncology Laboratory, Department of Biochemistry, School of Life Science, Bharathidasan University, Tamil Nadu, Tiruchirappalli, 620024, India; Narayanan M., Marine Pharmacology and Toxicology Laboratory, Department of Marine Science, Bharathidasan University, Tamil Nadu, Tiruchirappalli, 620024, India; Garg M., Department of Chemical Engineering, Birla Institute of Technology and Science, Rajasthan, Pilani, 333031, India; Arockiam A.J.V., Molecular Oncology Laboratory, Department of Biochemistry, School of Life Science, Bharathidasan University, Tamil Nadu, Tiruchirappalli, 620024, India; Manoharan N., Marine Pharmacology and Toxicology Laboratory, Department of Marine Science, Bharathidasan University, Tamil Nadu, Tiruchirappalli, 620024, India; Manoharan V.V., Department of Chemistry, National Institute of Technology, Tamil Nadu, Tiruchirappalli, 620015, India; Anjali R., Department of Chemistry, National Institute of Technology, Tamil Nadu, Tiruchirappalli, 620015, India; Menon R.S., Department of Chemistry, Christ (Deemed to be University), Karnataka, Bengaluru, 560029, India; Nallasivam J.L., Department of Chemistry, National Institute of Technology, Tamil Nadu, Tiruchirappalli, 620015, India; Biju V.M., Department of Chemistry, National Institute of Technology, Tamil Nadu, Tiruchirappalli, 620015, India Description An account of the resource A straightforward method for synthesizing four new asymmetric Aldazine Schiff base derivatives using aromatic aldehydes and hydrazine precursors was successfully demonstrated under moderate conditions. These compound are designated as follows: 1-((E)-(((E)-2-ethoxy benzylidene) hydrazineylidene) methyl)naphthalene-2-ol (2-EHMN) (L1), 1-((4-ethoxy benzylidene) hydrazineylidene) methyl) naphthalene-2-ol (4-EHMN) (L2), 1-((2?hydroxy-4-methoxybenzylidene) hydrazineylidene) methyl) naphthalene-2-ol (HMHMN) (L3), and 1-((2?chloro-6-hydroxyybenzylidene) hydrazineylidene) methyl) naphthalene-2-ol (CHHMN) (L4). The compounds obtained were analyzed via FT-IR, 1H-/13CNMR spectroscopy, HRMS spectrometry techniques, and elemental analysis. Infrared (IR) spectroscopy, UVVis spectroscopy, and accurate melting point determination all contribute to the improved study of synthesised compounds. A comprehensive solubility analysis was conducted for all synthesized compounds, demonstrating their solubility in dichloromethane (DCM), tetrahydrofuran (THF), and dimethylformamide (DMF). Thermoanalytical studies of all the ligands were also examined and compared. Furthermore, a single-crystal X-ray diffraction (SCXRD) analysis of L1 was conducted using a single-crystal diffractometer, with unit cell calculations and data collection performed using MoK? radiation (? = 0.7107 . Density functional theory (DFT) computations were used to optimise the structures of molecules and assess reactivity, durability, and electronic characteristics of the developed ligands. Molecular docking of L1, L2 and L3 has been done in different proteins, which gives precise results to show the activity for cytotoxicity and antibacterial studies. In silico, the ADME process calculations showed that the synthesised compounds have favourable drug-like features. In vitro antibacterial (L2 and L3) and cytotoxicity (L1) tests were also performed to assess their efficacy as therapeutic agents. 2025 Elsevier B.V. Subject The topic of the resource Aldazine; Antibacterial studies; Azine; Computational studies (DFT and MEP); Cytotoxicity studies Publisher An entity responsible for making the resource available Elsevier B.V. Relation A related resource ISSN: 222860; CODEN: JMOSB Language A language of the resource English Type The nature or genre of the resource Article Rights Information about rights held in and over the resource Restricted Access; Hardcopy may be available in the library Format The file format, physical medium, or dimensions of the resource online