Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
Author(s) -
Jens Gläser,
Ada Sedova,
Stephanie Galanie,
Daniel W. Kneller,
Russell B. Davidson,
Elvis Maradzike,
Sara Del Galdo,
Audrey Labbé,
Darren J. Hsu,
Rupesh Agarwal,
Dmytro Bykov,
Arnold Tharrington,
Jerry M. Parks,
Dayle M. A. Smith,
Isabella Daidone,
Leighton Coates,
Andrey Kovalevsky,
Jeremy C. Smith
Publication year - 2022
Publication title -
acs pharmacology and translational science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.271
H-Index - 10
ISSN - 2575-9108
DOI - 10.1021/acsptsci.2c00026
Subject(s) - pharmacophore , chemistry , isoquinoline , drug discovery , protease , stereochemistry , covalent bond , protease inhibitor (pharmacology) , ligand efficiency , combinatorial chemistry , non covalent interactions , protein data bank (rcsb pdb) , cheminformatics , enzyme , computational biology , biochemistry , ligand (biochemistry) , molecule , computational chemistry , hydrogen bond , biology , virus , virology , organic chemistry , receptor , antiretroviral therapy , viral load
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