Molecular modeling assisted identification and biological evaluation of potent cathepsin S inhibitors

S Ahmad, S Bhagwati, S Kumar, D Banerjee… - Journal of Molecular …, 2020 - Elsevier
Cathepsin S (CatS) is one of the cysteinyl cathepsins widely studied for its clinical
significance and found to be a promising therapeutic target for several diseases; to name a
few is arthritis, allergic inflammation, cancer, diabetes, obesity, and cystic fibrosis. Elevated
CatS level is a contributing factor for related disorders, and therefore among different
strategies to regulate the activity of CatS, one is to design a quality inhibitor. Earlier, we have
demonstrated a highly selective CatS inhibitor, RO5444101 interacts primarily with the S2 …
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