Analyzing 3D structures of the SARS-CoV-2 main protease reveals structural features of ligand binding for COVID-19 drug discovery (Record no. 54684)

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control field MX-MdCICY
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control field 20250625162452.0
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Transcribing agency CICY
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Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-20598
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Title Analyzing 3D structures of the SARS-CoV-2 main protease reveals structural features of ligand binding for COVID-19 drug discovery
490 0# - SERIES STATEMENT
Volume/sequential designation Drug Discovery Today, 28(10), p.103727, 2023
520 3# - SUMMARY, ETC.
Summary, etc. The 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.
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Topical term or geographic name entry element COVID-19
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Topical term or geographic name entry element SARS-COV-2
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Topical term or geographic name entry element CONFORMATIONS
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Topical term or geographic name entry element DRUG DISCOVERY AND DESIGN
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Topical term or geographic name entry element INHIBITOR
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Topical term or geographic name entry element MAIN PROTEASE
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Topical term or geographic name entry element PROTEIN-LIGAND INTERACTIONS
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Personal name Xu, L.
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Personal name Chen, R.
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Personal name Liu, J.
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Personal name Patterson, T. A.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Hong, H.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://drive.google.com/file/d/1uv4e6Ik-LFToq--30D8tv5gWvO9pazb2/view?usp=drivesdk">https://drive.google.com/file/d/1uv4e6Ik-LFToq--30D8tv5gWvO9pazb2/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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Source of classification or shelving scheme Clasificación local
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  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-20598 25.06.2025 25.06.2025 Documentos solicitados