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 Articles 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/. Title A name given to the resource Pyrazole Derivative Containing Naphthalene Moiety: Cytotoxocity (Breast and Cervical Cancer), Antibacterial and Antifungal Studies Using Experimental and Theoretical Tools Subject The topic of the resource ADME; antibacterial; antifungal; cytotoxicity; FMO; NCI Description An account of the resource In the present study, the title compound is named 4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(6-methoxynaphthalen-1-yl)methyl)-5-methyl-2-phenyl-1,2-dihydropyrazol-3-one was synthesized, and its antibacterial, antifungal, cytotoxic activity was studied by both experimental and in silico methods. The molecular structure was optimized using DFT/B3LYP method with cc-pVDZ as a besis set, and frontier molecular orbital (FMO) studies was used to explain the physiochemical properties of that molecule by the energy of interacting orbitals. NBO describes the intra delocalization of electrons in the molecule, which support the stability of that molecule. Noncovalent interaction (NCI) explains the nonbond interactions present in the molecule. Drug-likeness property of 405 C have been checked by absorption, distribution, metabolism and excretion (ADME) assay, result shown all the drug-likeness properties in red color region, so we have confirmed this molecule as a drug. 405 C undergoes antibiotic activity against P. aeruginosa organism, antifungal activity against B. cinerea and cytotoxicity activity against MCF-7 and HeLa cell when compared to standard drugs. 2022 Taylor &amp; Francis Group, LLC. Creator An entity primarily responsible for making the resource Tabassum S.; Thangaiyan P.; Govindaraju S.; Daniel N.K.; Thomas R. Source A related resource from which the described resource is derived Polycyclic Aromatic Compounds, Vol-43, No. 9, pp. 8544-8561. Publisher An entity responsible for making the resource available Taylor and Francis Ltd. Date A point or period of time associated with an event in the lifecycle of the resource 2023-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1080/10406638.2022.2149564" target="_blank" rel="noreferrer noopener">https://doi.org/10.1080/10406638.2022.2149564</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143203230&amp;doi=10.1080%2F10406638.2022.2149564&amp;partnerID=40&amp;md5=bcfae84144cc0c3e3f3f2940cfad5586" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143203230&amp;doi=10.1080%2f10406638.2022.2149564&amp;partnerID=40&amp;md5=bcfae84144cc0c3e3f3f2940cfad5586</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 10406638 Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Tabassum S., Department of Chemistry, Surana College, Bengaluru, India; Thangaiyan P., Department of Chemistry, St Berchmans College, Changanaserry, India, Department of Mechanical Engineering, University Centre for Research &amp; Development Chandigarh University, Mohali, India; Govindaraju S., Department of Sciences and Humanities, School of Engineering and Technology, CHRIST (Deemed to Be University), Bengaluru, India; Daniel N.K., Department of Sciences and Humanities, School of Engineering and Technology, CHRIST (Deemed to Be University), Bengaluru, India; Thomas R., Department of Chemistry, St Berchmans College, Changanaserry, India