Drug efficacy of novel 3-O-methoxy-4-halo disubstituted 5,7-dimethoxy chromans; evaluated via DNA gyrase inhibition,bacterial cell wall lesion and antibacterial prospective |
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Authors: | Thangarasu Ponnusamy Manikandan Alagumuthu S Thamaraiselvi |
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Institution: | 1. Research and Development Centre, Bharathiar University, Coimbatore 641046, India;2. Department of Biotechnology, School of Bio-Sciences and Technology, VIT University, Vellore 632014, India;3. Department of Chemistry, LRG Govt. Arts College for Women, Tirupur 641604, Tamil Nadu, India |
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Abstract: | In this study, novel 3-O-methoxy-4-halo, disubstituted-5,7-dimethoxy chromans with bacterial cell wall degrading potentials were synthesized, characterized and evaluated as DNA gyrase inhibitors and antibacterial agents. Compounds were showed a broad spectrum of antimicrobial activity against both Gram+ve bacteria (S. aureus (MTCC 3160), C. diphtheriae (MTCC 116), S. pyogenes (MTCC 442)) and Gram?ve bacteria (E. coli (MTCC 443), P. aeruginosa (MTCC 424), K. pneumoniae (MTCC 530)). Further, a molecular docking study was carried out to get more insight into the binding mode of present study compounds to target proteins (PDB ID: 2XCT (S. aureus DNA gyrase A), PDB ID: 3G75 (S. aureus DNA gyrase B), PDB ID: 3L7L (Teichoic acid polymerase). In the results, 14?>?20?>?24?>?12?>?18?>?17 were found as the most active against almost all executed activities in this study. The predicted Lipinski’s filter scores, SAR, pharmacokinetic/pharmacodynamics, and ADMET properties of these compounds envisioned the druggability prospects and the necessity of further animal model evaluations of 3-O-methoxy-4-halo disubstituted 5,7-dimethoxy chromans to establish them as an effective and future antibiotics. |
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Keywords: | Antibacterial Disubstituted-5 7-dimethoxy chromans DNA gyrase Lipinski’s filter Molecular docking |
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