A novel class of 1,4-disubstituted 1,2,3-triazoles: Regioselective synthesis,antimicrobial activity and molecular docking studies |
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| Institution: | 1. Malladi Drugs & Pharmaceuitcals Ltd., R&D Centre, Chennai 600124, Tamil Nadu, India;2. Organic & Bioorganic Chemistry Laboratory, CSIR-Central Leather Research Iinstitute, Adyar, Chennai 600020, Tamil Nadu, India;3. Division of Microbiology and Cancer Biology, Entomology Research Institute, Loyola College, Chennai 600034, Tamil Nadu, India;4. Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur, Kancheepuram 603203, India;5. Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia |
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| Abstract: | A Novel class of 1,4-disubstituted 1,2,3-triazoles have been synthesized in good to excellent yields via Cu(I) accelerated azide-alkyne click chemistry reaction strategy. The newly synthesized compounds were assessed for their in vitro antimicrobial activity against five Gram-positive, seven Gram-negative bacteria and three fungi. Most of the synthesized compounds displayed significant activity against the tested Gram-positive and Gram-negative bacteria. Molecular docking study revealed that all docked compounds are bound efficiently with the active site of Topoisomerase IV (4EMV) receptor with the observed the free energy of binding from −7.79 to −9.44 kcal/mol. Interestingly, compound 13a forms four hydrogen bonds and displayed high binding energy (−9.44 kcal/mol) with the Topoisomerase IV (4EMV) receptor which correlated with their in vitro antimicrobial assays. |
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| Keywords: | 1 4-Disusbstituted-1 2 3-triazoles Click chemistry Antimicrobial activity Docking study |
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