A Combined approach of QSAR study, molecular docking and pharmacokinetics prediction of promising Amide-Ac6-aminoacetonitriles Cathepsin K inhibitors

Journal of Molecular Structure（2021）

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摘要

•Combined use of QSAR, molecular docking and pharmacokinetics prediction approaches.•One promising Cathepsin K inhibitor was identified.

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关键词

Cathepsin K,QSAR,docking,Fingerprint,clustering

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