Docking Simulations and Primary Assessment of Newly Synthesized Benzene Sulfonamide Pyrazole Oxadiazole Derivatives as Potential Antimicrobial and Antitubercular Agents

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 b...

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Bibliographic Details
Published in:Polycyclic aromatic compounds 2023-02, Vol.43 (2), p.1799-1811
Main Authors: Shingare, Ramesh, Patil, Yogesh, Sangshetti, Jaiprakash, Patil, Rajesh, Rajani, Dhanji, Madje, Balaji
Format: Article
Language:English
Subjects:
Acyl carrier protein
Acyl carrier protein synthase
Ampicillin
Antibacterial activity
Antimicrobial
Antitubercular activity
Antitubercular agents
Benzene
Benzene sulfonamide pyrazole
Chemical synthesis
E coli
Molecular docking
NMR
Nuclear magnetic resonance
Oxadiazole
Oxadiazoles
Pyrazole
Pyrazoles
Sulfonamides
Tuberculosis
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Summary: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 H 37 Rv.
ISSN:1040-6638
1563-5333
DOI:10.1080/10406638.2022.2036771