The synthesis, biological evaluation and in silico studies of asymmetric 3,5-diaryl-rhodanines as novel inhibitors of human carbonic anhydrase isoenzymes
Journal of Molecular Structure（2023）
Abstract
•Novel 3,5-diaryl-rhodanine derivatives were designed and synthesized.•The inhibition effects of 3,5-diaryl-rhodanine compounds on hCA I, and hCA II enzymes were determined.•The binding modes of the best inhibitors were identified with molecular docking studies.
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Key words
Rhodanine,3-amino-rhodanine,Reduction,Cytosolic carbonic anhydrase,Molecular docking,ADME and drug-likeness parameters
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