Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides
N-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The compounds were evaluated for antibacterial activity by the disc diffusion method. Most of the compounds showed activity against Gram-positiv...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Sciendo
2022-03-01
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| Series: | Polish Journal of Chemical Technology |
| Subjects: | |
| Online Access: | https://doi.org/10.2478/pjct-2022-0006 |
| _version_ | 1818055193684606976 |
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| author | Bhat Mashooq Ahmad Naglah Ahmad M. Khan Azmat Ali Al-Dhfyan Abdullah |
| author_facet | Bhat Mashooq Ahmad Naglah Ahmad M. Khan Azmat Ali Al-Dhfyan Abdullah |
| author_sort | Bhat Mashooq Ahmad |
| collection | DOAJ |
| description | N-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The compounds were evaluated for antibacterial activity by the disc diffusion method. Most of the compounds showed activity against Gram-positive bacteria. Compound 2h with 4-Sulfapyrimidine phenyl substitution was found to be the most promising candidate, active against Gram-positive and methicillin-resistant Staphylococcus aureus (MRSA) strains with minimum inhibitory concentration (MIC) of (2–7 μg/mL). From the docking study, we predicted that compounds (2r, 2g, 2h, 2o, 2p and 2e) possess better antibacterial activity by having a good binding affinity with target protein and they could be used as potential drugs as antimicrobials. Amongst all the docked compounds, the compound 2h presented near binding affinity & interaction docking score with DNA gyrase enzymes with reference to ciprofloxacin. |
| first_indexed | 2024-12-10T12:09:04Z |
| format | Article |
| id | doaj.art-328eb4462b5c44de9de45e091ab52802 |
| institution | Directory Open Access Journal |
| issn | 1899-4741 |
| language | English |
| last_indexed | 2024-12-10T12:09:04Z |
| publishDate | 2022-03-01 |
| publisher | Sciendo |
| record_format | Article |
| series | Polish Journal of Chemical Technology |
| spelling | doaj.art-328eb4462b5c44de9de45e091ab528022022-12-22T01:49:24ZengSciendoPolish Journal of Chemical Technology1899-47412022-03-01241394610.2478/pjct-2022-0006Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazidesBhat Mashooq Ahmad0Naglah Ahmad M.1Khan Azmat Ali2Al-Dhfyan Abdullah3Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh11451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh11451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh11451, Saudi ArabiaDepartment of Pharmacology and Toxicology, College of Pharmacy, King Saud University, Riyadh11451, Saudi ArabiaN-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The compounds were evaluated for antibacterial activity by the disc diffusion method. Most of the compounds showed activity against Gram-positive bacteria. Compound 2h with 4-Sulfapyrimidine phenyl substitution was found to be the most promising candidate, active against Gram-positive and methicillin-resistant Staphylococcus aureus (MRSA) strains with minimum inhibitory concentration (MIC) of (2–7 μg/mL). From the docking study, we predicted that compounds (2r, 2g, 2h, 2o, 2p and 2e) possess better antibacterial activity by having a good binding affinity with target protein and they could be used as potential drugs as antimicrobials. Amongst all the docked compounds, the compound 2h presented near binding affinity & interaction docking score with DNA gyrase enzymes with reference to ciprofloxacin.https://doi.org/10.2478/pjct-2022-0006aryl-thiosemicarbazidesantibacterial activitymolecular dockingdnagyrase |
| spellingShingle | Bhat Mashooq Ahmad Naglah Ahmad M. Khan Azmat Ali Al-Dhfyan Abdullah Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides Polish Journal of Chemical Technology aryl-thiosemicarbazides antibacterial activity molecular docking dnagyrase |
| title | Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides |
| title_full | Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides |
| title_fullStr | Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides |
| title_full_unstemmed | Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides |
| title_short | Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides |
| title_sort | synthesis molecular modelling and antibacterial activity of 4 aryl thiosemicarbazides |
| topic | aryl-thiosemicarbazides antibacterial activity molecular docking dnagyrase |
| url | https://doi.org/10.2478/pjct-2022-0006 |
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