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Title A name given to the resource Synthesis, Computational, and Photophysical Probing Studies on Mono-Azo Sulfonamides, and Their Antibacterial Activity Subject The topic of the resource density functional theory; disc-agar diffusion method; heterocyclic azo dyes; molecular docking Description An account of the resource Abstract: Objective: Novel azo-linked substituted sulfonamides were synthesized via diazo coupling with the molecular formula (C9H10N4O2S2, C11H11N3O2S) and characterized by FT-IR, UV-vis, HR-MS, and 1H NMR spectroscopy techniques. The photophysical studies were carried out using experimental techniques. Absorption and fluorescence maxima of all the synthesized molecules were determined by using different solvents. Our synthesized mono-azo derivatives are interested in identifying the cellular target site for sulfonamides (F1-F2) and (P1-P2). The newly synthesized compounds were examined for their in vitro antibacterial activity against Staphylococcus aureus and Escherichia coli strains. Methods: In this study, we focused on the sulfonamide architecture. Antibacterial activity of compound (F1), (F2), (P1), and (P2) derivatives was studied by measuring the diameter of the inhibition zone, using the Disc-agar diffusion method. Results and Discussion: Density functional theory was used to demonstrate the electronic and optical properties of the synthesized molecules. In the correlation between the HOMOLUMO energy gap, the derivative (F1) shows a higher (3.9866 eV) and (F2) shows a lower (3.2063 eV) excitation energy. The synthesized compound (F1) looks into antibacterial activity, exhibited more zone inhibition 25 mm in the concentration 75 L/mL in gram-negative bacteria when compared with the common antibiotic Ciprofloxacin. Additionally, the results emerged from the in silico molecular docking studies the compound (F2) showed highest binding energy against cyclin-dependent kinase (?Gb = 9.8 kcal/mol). Conclusions: The synthesized four mono-azo sulfonamide derivatives (F1), (F2), (P1), and (P2) are reported in photophysical, CDFT, antibacterial, and molecular docking studies with relevant results. Pleiades Publishing, Ltd. 2024. Creator An entity primarily responsible for making the resource Shekharagouda P.; Mamatha G.P.; Pallavi K.M.; Nagaraju G.; Krishnamurthy C.; Sajjan V.P.; Sushma M.S.; Naik L. Source A related resource from which the described resource is derived Russian Journal of Bioorganic Chemistry, Vol-50, No. 5, pp. 1735-1751. Publisher An entity responsible for making the resource available Pleiades Publishing 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/10.1134/S1068162024050388" target="_blank" rel="noreferrer noopener">https://doi.org/10.1134/S1068162024050388</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85206273496&amp;doi=10.1134%2FS1068162024050388&amp;partnerID=40&amp;md5=bdf7349e19da2a29085a12927090cf05" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85206273496&amp;doi=10.1134%2fS1068162024050388&amp;partnerID=40&amp;md5=bdf7349e19da2a29085a12927090cf05</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 10681620; CODEN: RJBCE 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 Shekharagouda P., Department of Studies in Chemistry, Davangere University, Shivagangothri, Davanagere, Karnataka, 577007, India; Mamatha G.P., Department of Studies in Chemistry, Davangere University, Shivagangothri, Davanagere, Karnataka, 577007, India; Pallavi K.M., Department of Studies in Chemistry, Davangere University, Shivagangothri, Davanagere, Karnataka, 577007, India; Nagaraju G., Energy Material Research Laboratory, Department of Chemistry Siddaganga Institute of Technology, Tumakuru, Karnataka, 572103, India; Krishnamurthy C., Department of PG Studies and Research in Chemistry, Kuvempu University, Jnanasahyadri, Shankaragatta, Shivamogga, Karnataka, 577451, India; Sajjan V.P., Department of Chemistry, BVVs Basaveshwar Arts, Commerce and Science College, Vidyagiri, Bagalkot, Karnataka, 587101, India; Sushma M.S., Department of Microbiology and Food Science and Technology, GITAM University School of Science, Vishakapatnam, Andrapradesh, 530045, India; Naik L., Department of Physics and Electronics, CHRIST University, Bengaluru, Central Campus, Bengaluru, Karnataka, 560029, India