Synthesis,molecular docking and biological evaluation of coumarin derivatives containing piperazine skeleton as potential antibacterial agents |
| |
| Affiliation: | 1. School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, People’s Republic of China;2. Co-Innovation Center of Jiangsu Marine Bio-industry Technology, Lianyungang, 222005, People’s Republic of China;1. Department of Chemistry, Yuvaraja College, University of Mysore, Mysore, India;2. Center for the Study of Systems Biology, School of Biology, Georgia Institute of Technology, 950, Atlantic Drive, Atlanta, GA 30332, USA;3. Transplant Surgery Section, Rangos Research Center, University of Pittsburgh, PA 15201, USA;1. Department of Studies in Chemistry, Karnatak University, Dharwad, 580003, India;2. Department of Studies in Solid State and Structural Chemistry Unit, IISC, Bengaluru, 560012, India;1. Department of Chemistry, National Institute of Technology, Warangal 506004, Telangana, India;2. Department of Biotechnology, National Institute of Technology, Warangal 506004, Telangana, India;3. Centre for Chemical Biology, CSIR-Indian Institute of Chemical Technology, Hyderabad, Telangana 500607, India;4. Department of Microbiology, Kakatiya University, Warangal, Telangana, India |
| |
| Abstract: | A series of 4-hydroxycoumarin derivatives were designed and synthesized in order to find some more potent antibacterial drugs. Their antibacterial activities against Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis and Staphylococcus aureus were tested. These compounds showed good antibacterial activities against Gram-positive strains. Compound 4g represented the most potent antibacterial activity against Bacillus subtilis and S. aureus with MIC of 0.236, 0.355 μg/mL, respectively. What’s more, it showed the most potent activity against SaFabI with IC50 of 0.57 μM. Molecular docking of 4g into S. aureus Enoyl-ACP-reductase active site were performed to determine the probable binding mode, while the QSAR model was built to check the previous work as well as to introduce new directions. |
| |
| Keywords: | Coumarin derivatives Antibacterial activities SaFabI Molecular docking 3D-QSAR |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
