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Computational analysis of the cathepsin B inhibitors activities through LR-MMPBSA binding affinity calculation based on docked complex

Cathepsin B, a ubiquitous lysosomal cysteine protease, is involved in many biological processes related to several human diseases. Inhibitors targeting the enzyme have been investigated as possible diseases treatments. A set of 37 compounds were recently found active in a high throughput screening a...

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Hlavní autoři: Zhou, Zhigang, Wang, Yanli, Bryant, Stephen H.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2009
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2735608/
https://ncbi.nlm.nih.gov/pubmed/19242965
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21214
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