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 Structural modification of electrophilic group substituted phenyldiazenyl derivatives for antitubercular application Subject The topic of the resource Antitubercular activity; DFT study; GCRD; Phenyldiazenyl derivatives; Photophysical properties Description An account of the resource In the present work, four electrophilic group substitute phenyldiazenyl derivatives were synthesized using an electrophilic substitution reaction. The physicochemical analysis was carried out using FT-IR, 1H NMR, and HR-MS data. The photophysical studies were carried out using theoretical methods. Density functional theory was employed to illustrate the electronic and optical characteristics of the synthesized compounds. The HOMO-LUMO energies were theoretically computed in different solvents using Gaussian 09W software and results are compared with the experimental values. The molecule PT4 shows highest bandgap of 4.497eV. Further, the global chemical reactivity descriptors were used to determined nature of chemical reactivity. The anti-tubercular activity was evaluated using invitro and molecular docking techniques and results reveal that barbituric acid coupled with phenyldiazenyl displayed excellent anti-tubercular activity compared with the standard Gentamycin. 2024 Indian Chemical Society Creator An entity primarily responsible for making the resource Almehizia A.A.; Naglah A.M.; El-Mowafi S.A.; Lobo P.L.; Patil P.; Naik L. Source A related resource from which the described resource is derived Journal of the Indian Chemical Society, Vol-101, No. 9 Publisher An entity responsible for making the resource available Elsevier B.V. Date A point or period of time associated with an event in the lifecycle of the resource 2024-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.jics.2024.101228" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.jics.2024.101228</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85197089208&amp;doi=10.1016%2Fj.jics.2024.101228&amp;partnerID=40&amp;md5=40f65d972f2218cc25553f3e55c4774b" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85197089208&amp;doi=10.1016%2fj.jics.2024.101228&amp;partnerID=40&amp;md5=40f65d972f2218cc25553f3e55c4774b</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 194522; CODEN: JICSA 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 Almehizia A.A., Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia; Naglah A.M., Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia; El-Mowafi S.A., Peptide Chemistry Department, National Research Centre, Cairo, Dokki, 12622, Egypt; Lobo P.L., Department of Chemistry, Maharani's Science College for Women, Maharani Cluster University, Karnataka, Bengaluru, 560 001, India; Patil P., Department of Studies in Chemistry, Davangere University, Shivagangothri, Karnataka, Davanagere, 577 007, India; Naik L., Department of Physics and Electronics, CHRIST (Deemed to be University), Bengaluru, 560029, India