Article
Pharmacophore anchor models of ATAT1 to discover potential inhibitors and lead optimization.
Computational biology and chemistry - 1 Aug 2021
Hsu Nung-Yu, Pathak Nikhil, Chen Yun-Ti, Hsu Yen-Chao, Yang Jinn-Moon
Abstract excerpt
Post-translation modification of microtubules is associated with many diseases like cancer. Alpha Tubulin Acetyltransferase 1 (ATAT1) is a major enzyme that acetylates 'Lys-40' in alpha-tubulin on the luminal side of microtubules and is a drug target that lacks inhibitors. Here, we developed pharmacophore anchor models of ATAT1 which were constructed statistically using thousands of docked compounds, for drug...
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