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005			20250625162452.0
040			_cCICY
090			_aB-20598
245	1	0	_aAnalyzing 3D structures of the SARS-CoV-2 main protease reveals structural features of ligand binding for COVID-19 drug discovery
490	0		_vDrug Discovery Today, 28(10), p.103727, 2023
520	3		_aThe severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2)main protease has an essential role in viral replication and has become a major target for coronavirus 2019 (COVID-19)drug development. Various inhibitors have been discovered or designed to bind to the main protease. The availability of more than 550 3D structures of the main protease provides a wealth of structural details on the main protease in both ligand-free and ligand-bound states. Therefore, we examined these structures to ascertain the structural features for the role of the main protease in the cleavage of polyproteins, the alternative conformations during main protease maturation, and ligand interactions in the main protease. The structural features unearthed could promote the development of COVID-19 drugs targeting the SARS-CoV-2 main protease.
650	1	4	_aCOVID-19
650	1	4	_aSARS-COV-2
650	1	4	_aCONFORMATIONS
650	1	4	_aDRUG DISCOVERY AND DESIGN
650	1	4	_aINHIBITOR
650	1	4	_aMAIN PROTEASE
650	1	4	_aPROTEIN-LIGAND INTERACTIONS
700	1	2	_aXu, L.
700	1	2	_aChen, R.
700	1	2	_aLiu, J.
700	1	2	_aPatterson, T. A.
700	1	2	_aHong, H.
856	4	0	_uhttps://drive.google.com/file/d/1uv4e6Ik-LFToq--30D8tv5gWvO9pazb2/view?usp=drivesdk _zPara ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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