Guanyu Wang, Nicolas Moitessier and Anthony K. Mittermaier
Chem. Commun., 2023,59, 10866-10882
Abstract
Iterative covalent drug design and discovery combining computational, synthetic, and biophysical chemistry.
Lavleen K. Mader and Jeffrey W. Keillor
RSC Med. Chem., 2025,16, 2517-2531
Abstract
A newly derived implicit equation and a new modelling method, EPIC-CoRe, allow for complete kinetic evaluation of reversible covalent inhibitors from time-dependent IC50 data.
Victor Hugo Cano Gil and Christopher N. Rowley
Digital Discovery, 2024,3, 1776-1792
Abstract
GNN recognizes protein reactivity of covalent inhibitor futibatinib with 99.2% confidence score.
Roufen Chen, Yali Gao, Han Liu, He Li, Wenfa Chen and Junjie Ma
RSC Med. Chem., 2023,14, 9-21
Abstract
The representative SARS-CoV-2 3CLpro inhibitors reported since 2020 and their biological activities and binding models are reviewed, providing new insights into the design and development of more effective 3CLpro inhibitors against SARS-CoV-2.
Yves L. Janin
RSC Med. Chem., 2024,15, 81-118
Abstract
A review on the discovery of relevant SARS-CoV-2 main protease inhibitors along with insights into their origins as well as on which adopted strategies actually delivered and which did not.