Design, synthesis and molecular docking of salicylic acid derivatives containing metronidazole as a new class of antimicrobial agents.
作者： Zhi-Hua Guo , Yong Yin , Cong Wang , Peng-Fei Wang , Xing-Tao Zhang
DOI: 10.1016/J.BMC.2015.07.075
关键词: Stereochemistry 、 Docking (molecular) 、 Structure–activity relationship 、 Escherichia coli 、 Antibacterial activity 、 Bacillus subtilis 、 Antibacterial agent 、 Antimicrobial 、 Chemistry 、 Staphylococcus aureus
摘要: A series of novel salicylic acid derivatives containing metronidazole as Staphylococcus aureus Tyrosyl-tRNA synthetase (TyrRS) inhibitors have been synthesized and evaluated their biology activities potential antibacterial agents. Among these compounds, compound 5r exhibited the most potent activity against Gram-positive (S. ATCC 6538 Bacillus subtilis 6633) Gram-negative (Escherichia coli 35218 Pseudomonas aeruginosa 13525) with MICs 0.39-1.57 μg/mL showed S. inhibitory 2.3 μM. Docking simulation was performed to insert into crystal structure active site determine probable binding model. These results suggested that may be a promising agent.
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