Enzymes inhibition profiles and antibacterial activities of benzylidenemalononitrile derivatives
Journal of Molecular Structure(2021)
摘要
•Benzylidenemalononitrile derivatives were investigated as being hCA-I, hCA-II, and hAChE inhibitors.•Compound 5 was the most effective inhibitor for both hCA isozymes.•Compound 3 was the most effective inhibitor for hAChE with Ki value of 0.058 ± 0.014 µM.•Molecular docking studies were performed to get insight into the inhibition mechanism.•Molecule 5 and 7 are the most effective compound against K. pneumonia, and S. aureus respectively.
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关键词
Acetylcholinesterase,Antibacterial,Carbonic anhydrase,Molecular docking,Structure-activity relationship (SAR)
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