Docking Simulations and Primary Assessment of Newly Synthesized Benzene Sulfonamide Pyrazole Oxadiazole Derivatives as Potential Antimicrobial and Antitubercular Agents. (7th February 2023)

• Record Type: Journal Article
• Authors: Shingare, Ramesh; Patil, Yogesh; Sangshetti, Jaiprakash; Patil, Rajesh; Rajani, Dhanji; Madje, Balaji
• Is Part Of: Polycyclic aromatic compounds. Volume 43:Number 2(2023)
• Page Start: 1799
• Page End: 1811
• Publication Date: 2023-02-07
• Subjects: Antimicrobial -- Antitubercular activity -- Benzene sulfonamide pyrazole -- Molecular docking -- Oxadiazole; Polycyclic aromatic compounds -- Periodicals; 547
• DOI: 10.1080/10406638.2022.2036771
• Languages: English
• ISSNs: 1040-6638

Abstract

Abstract: A novel series of benzene sulfonamide pyrazole oxadiazole derivatives have been synthesized by reaction of 4-(5-(3-fluoro-4-methoxyphenyl)-3-(hydrazinecarbonyl)-1H-pyrazol-1-yl) benzene sulfonamide with different substituted benzoic/pyridinyl/indolyl acids in phosphorous oxychloride, characterized by IR, 1 H NMR, 13 C NMR, MS analytical data and evaluated for their antimicrobial as well as antitubercular activity. Molecular docking studies against Mycobacterium tuberculosis β-ketoacyl-acyl carrier protein synthase A, (Kas-A) was carried out to understand the possible mode of its inhibition and potential of synthesized compounds as antitubercular agents. Antibacterial activity of compounds 5d ( 3-Cl) and 5f (2, 4-diCl) were found good against E. coli, P. aeruginosa, S. aureus and S. pyogenes as compared to standard Ampicillin. Compound 5d was found active antitubercular agents against M. tuberculosis H37 Rv. Graphical Abstract: UF0001