Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides
3,4-Disubstituted pyrrolidinesulfonamides were synthesized and screened for their antimicrobial activity. Title compounds were established as potent antibacterial and antifungal agents. Noteworthy antimicrobial activity was found for the title compounds against the tested microorganisms. They exhib...
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al-Farabi Kazakh National University
2019-12-01
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| Series: | Chemical Bulletin of Kazakh National University |
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| Online Access: | https://bulletin.chemistry.kz/index.php/kaznu/article/view/1044 |
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doaj-b1e036c96bc84355b7e768feca34d2332020-11-25T02:46:40Zengal-Farabi Kazakh National UniversityChemical Bulletin of Kazakh National University1563-03312312-75542019-12-01410.15328/cb1044Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamidesBadampudi Santosh Kumar0Gudhi Madhu1Lk Ravindranath2Gayatri vidya parishad college of engineering, Vishakapatnam, IndiaDepartment of Chemistry, Dr. APJ Abdulkalam IIIT-Ongole, Rajiv Gandhi University of Knowledge Technologies-AP, Ongole, IndiaDepartment of Chemistry, Sri Krishnadevaraya University, Anantapur, India 3,4-Disubstituted pyrrolidinesulfonamides were synthesized and screened for their antimicrobial activity. Title compounds were established as potent antibacterial and antifungal agents. Noteworthy antimicrobial activity was found for the title compounds against the tested microorganisms. They exhibit comparable results with standard drugs. Besides the in vitro antimicrobial activity, the synthesized compounds were evaluated for their in silico inhibitory activity on active site of β-glucosidase enzyme. In silico studies were done by GOLD docking method against β-glucosidase 3VKK (PDB Id). In silico studies were conducted to evaluate the ability of synthesized compounds to inhibit the β-glucosidase enzyme. The results revealed that 3,4-disubstitutedpyrrolidinesulfonamides are the potent β-glucosidase inhibitors by binding at the active site. A sensible inhibition against β-glucosidases was observed for the compound with 13,4-oxadizole ring has higher β-glucosidase inhibition activity than the other compounds. The free energy of binding and inhibition constant (Ki) of the docked compounds were evaluated and presented. https://bulletin.chemistry.kz/index.php/kaznu/article/view/1044pyrrolidinesulfonamidessynthesisin silico studiesβ-glucosidaseantimicrobial activity |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Badampudi Santosh Kumar Gudhi Madhu Lk Ravindranath |
| spellingShingle |
Badampudi Santosh Kumar Gudhi Madhu Lk Ravindranath Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides Chemical Bulletin of Kazakh National University pyrrolidinesulfonamides synthesis in silico studies β-glucosidase antimicrobial activity |
| author_facet |
Badampudi Santosh Kumar Gudhi Madhu Lk Ravindranath |
| author_sort |
Badampudi Santosh Kumar |
| title |
Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides |
| title_short |
Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides |
| title_full |
Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides |
| title_fullStr |
Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides |
| title_full_unstemmed |
Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides |
| title_sort |
synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides |
| publisher |
al-Farabi Kazakh National University |
| series |
Chemical Bulletin of Kazakh National University |
| issn |
1563-0331 2312-7554 |
| publishDate |
2019-12-01 |
| description |
3,4-Disubstituted pyrrolidinesulfonamides were synthesized and screened for their antimicrobial activity. Title compounds were established as potent antibacterial and antifungal agents. Noteworthy antimicrobial activity was found for the title compounds against the tested microorganisms. They exhibit comparable results with standard drugs. Besides the in vitro antimicrobial activity, the synthesized compounds were evaluated for their in silico inhibitory activity on active site of β-glucosidase enzyme. In silico studies were done by GOLD docking method against β-glucosidase 3VKK (PDB Id). In silico studies were conducted to evaluate the ability of synthesized compounds to inhibit the β-glucosidase enzyme. The results revealed that 3,4-disubstitutedpyrrolidinesulfonamides are the potent β-glucosidase inhibitors by binding at the active site. A sensible inhibition against β-glucosidases was observed for the compound with 13,4-oxadizole ring has higher β-glucosidase inhibition activity than the other compounds. The free energy of binding and inhibition constant (Ki) of the docked compounds were evaluated and presented.
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| topic |
pyrrolidinesulfonamides synthesis in silico studies β-glucosidase antimicrobial activity |
| url |
https://bulletin.chemistry.kz/index.php/kaznu/article/view/1044 |
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