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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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| Published in: | Polycyclic aromatic compounds 2023-02, Vol.43 (2), p.1799-1811 |
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| container_title | Polycyclic aromatic compounds |
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| creator | Shingare, Ramesh Patil, Yogesh Sangshetti, Jaiprakash Patil, Rajesh Rajani, Dhanji Madje, Balaji |
| description | 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
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| doi_str_mv | 10.1080/10406638.2022.2036771 |
| format | article |
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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.</description><identifier>ISSN: 1040-6638</identifier><identifier>EISSN: 1563-5333</identifier><identifier>DOI: 10.1080/10406638.2022.2036771</identifier><language>eng</language><publisher>Philadelphia: Taylor & Francis</publisher><subject>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</subject><ispartof>Polycyclic aromatic compounds, 2023-02, Vol.43 (2), p.1799-1811</ispartof><rights>2022 Taylor & Francis Group, LLC 2022</rights><rights>2022 Taylor & Francis Group, LLC</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c253t-c7d55d33b53e1be4db77b61ce877dd7f2f792599356171382d608bcb9c41938b3</citedby><cites>FETCH-LOGICAL-c253t-c7d55d33b53e1be4db77b61ce877dd7f2f792599356171382d608bcb9c41938b3</cites><orcidid>0000-0003-2986-9546</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,786,790,27957,27958</link.rule.ids></links><search><creatorcontrib>Shingare, Ramesh</creatorcontrib><creatorcontrib>Patil, Yogesh</creatorcontrib><creatorcontrib>Sangshetti, Jaiprakash</creatorcontrib><creatorcontrib>Patil, Rajesh</creatorcontrib><creatorcontrib>Rajani, Dhanji</creatorcontrib><creatorcontrib>Madje, Balaji</creatorcontrib><title>Docking Simulations and Primary Assessment of Newly Synthesized Benzene Sulfonamide Pyrazole Oxadiazole Derivatives as Potential Antimicrobial and Antitubercular Agents</title><title>Polycyclic aromatic compounds</title><description>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.</description><subject>Acyl carrier protein</subject><subject>Acyl carrier protein synthase</subject><subject>Ampicillin</subject><subject>Antibacterial activity</subject><subject>Antimicrobial</subject><subject>Antitubercular activity</subject><subject>Antitubercular agents</subject><subject>Benzene</subject><subject>Benzene sulfonamide pyrazole</subject><subject>Chemical synthesis</subject><subject>E coli</subject><subject>Molecular docking</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Oxadiazole</subject><subject>Oxadiazoles</subject><subject>Pyrazole</subject><subject>Pyrazoles</subject><subject>Sulfonamides</subject><subject>Tuberculosis</subject><issn>1040-6638</issn><issn>1563-5333</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kctu1TAQhiMEEqXtIyBZYp3iy7Gd7Di0QJEqeqRD15Yvk-KS2MVOWnKeiMeso5RtNzPj0T_fjPxX1XuCzwhu8EeCN1gI1pxRTGkJTEhJXlVHhAtWc8bY61IXTb2I3lbvcr7DmBIh6FH17yLa3z7cor0fpl6PPoaMdHBol_yg04y2OUPOA4QRxQ79gMd-Rvs5jL8g-wM49BnCAQKg_dR3MejBO0C7OelD7AFd_9XOr-UFJP9Q-A9Q-Bnt4liQXvdoW9LgbYpmeS2rl844GUi2XJTQ9rYo80n1ptN9htPnfFzdfP3y8_yyvrr-9v18e1VbytlYW-k4d4wZzoAY2DgjpRHEQiOlc7KjnWwpb1vGBZGENdQJ3BhrWrshLWsMO64-rNz7FP9MkEd1F6cUykpFpWz5pqGCFBVfVeXunBN06n79L0WwWkxR_01Riynq2ZQy92md86GLadCPMfVOjXruY-qSDtZnxV5GPAGd_Jdb</recordid><startdate>20230207</startdate><enddate>20230207</enddate><creator>Shingare, Ramesh</creator><creator>Patil, Yogesh</creator><creator>Sangshetti, Jaiprakash</creator><creator>Patil, Rajesh</creator><creator>Rajani, Dhanji</creator><creator>Madje, Balaji</creator><general>Taylor & Francis</general><general>Taylor & Francis Ltd</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QQ</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7ST</scope><scope>7T5</scope><scope>7TA</scope><scope>7TB</scope><scope>7U5</scope><scope>7U7</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>H94</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>SOI</scope><orcidid>https://orcid.org/0000-0003-2986-9546</orcidid></search><sort><creationdate>20230207</creationdate><title>Docking Simulations and Primary Assessment of Newly Synthesized Benzene Sulfonamide Pyrazole Oxadiazole Derivatives as Potential Antimicrobial and Antitubercular Agents</title><author>Shingare, Ramesh ; 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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
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| ispartof | Polycyclic aromatic compounds, 2023-02, Vol.43 (2), p.1799-1811 |
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| source | Taylor and Francis Science and Technology Collection |
| 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 |
| title | Docking Simulations and Primary Assessment of Newly Synthesized Benzene Sulfonamide Pyrazole Oxadiazole Derivatives as Potential Antimicrobial and Antitubercular Agents |
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