Pharmacology & ToxicologyJournal of Medicinal ChemistryPeer-reviewed
High-efficiency discovery and structure-activity-relationship analysis of non-substrate-based covalent inhibitors of S-adenosylmethionine decarboxylase
Yuanbao Ai, Siyu Xu, Yan Zhang…·Sen Liu
This study enhances a computational protocol for discovering covalent inhibitors of AdoMetDC by integrating quantum chemistry calculations, achieving a 70.6% hit rate in screening 17 compounds.
3 citations