Design,synthesis and antibacterial activities of 5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol derivatives containing Schiff base formation as FabH inhibitory |
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| Affiliation: | 1. University of Modena and Reggio Emilia, Via Campi 103, 41125 Modena, Italy;2. Brazilian Biosciences National Laboratory (LNBio), Brazilian Center for Research in Energy and Materials (CNPEM), 13083-970, Campinas, SP, Brazil;3. Institute for Molecular and Cell Biology, 4150-180 Porto, Portugal;4. Instituto de Investigação e Inovação em Saúde, Universidade do Porto and Institute for Molecular and Cell Biology, 4150-180 Porto, Portugal;5. Departamento de Ciências Biológicas, Faculdade de Farmácia, Universidade do Porto, Porto, Portugal;6. Fraunhofer Institute for Molecular Biology and Applied Ecology Screening Port, Hamburg, Germany;1. Departamento de Química, Laboratório de Materiais Inorgânicos, Universidade Federal de Santa Maria, UFSM, 97115-900 Santa Maria, RS, Brazil;2. Departamento de Química, Universidade Federal de Santa Catarina, UFSC, 88040-970 Florianópolis, SC, Brazil;1. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia;2. Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt;3. Department of Physics, Fatima Mata National College, Kollam, Kerala, India;4. Department of Medicinal Chemistry, Faculty of Pharmacy, University of Mansoura, Mansoura, Egypt;5. Department of Pharmaceutical Chemistry, Sinhgad Institute of Pharmacy, Narhe, Pune, University of Pune, Ganeshkhind, India;6. University of Novi Sad, Faculty of Sciences, Department of Physics, Trg D. Obradovića 4, 21000 Novi Sad, Serbia;7. University of Novi Sad, Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental Protection, Trg D. Obradovića 3, 21000 Novi Sad, Serbia;1. School of Chemical Engineering and Technology, North University of China, Taiyuan 030051, PR China;2. National Demonstration Center for Experimental Comprehenisve Chemical Engineering Education, North University of China, Taiyuan 030051, PR China |
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| Abstract: | A series of novel schiff base derivatives (H1–H20) containing pyrazine and triazole moiety have been designed and synthesized, and their biological activities were also evaluated as potential inhibitors of β-ketoacyl-acyl carrier protein synthase III (FabH). These compounds were assayed for antibacterial activity against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis and Bacillus amyloliquefaciens and selected compounds among them were tested for their Escherichia coli FabH inhibitory activity. Based on the biological data, compound H17 showed the most potent antibacterial activity with MIC values of 0.39–1.56 μg/mL against the tested bacterial strains and exhibited the most potent E. coli FabH inhibitory activity with IC50 of 5.2 μM, being better than the positive control Kanamycin B with IC50 of 6.3 μM. Furthermore, docking simulation was performed to position compound H17 into the E. coli FabH active site to determine the probable binding conformation. This study indicated that compound H17 has demonstrated significant E. coli FabH inhibitory activity as a potential antibacterial agent and provides valuable information for the design of E. coli FabH inhibitors. |
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| Keywords: | FabH inhibitor Antibacterial Schiff base 1,2,4-Triazole Structure–activity relationship |
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