About: Sequence characterization and molecular modeling of clinically relevant variants of the SARS-CoV-2 main protease

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About: Sequence characterization and molecular modeling of clinically relevant variants of the SARS-CoV-2 main protease Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Sequence characterization and molecular modeling of clinically relevant variants of the SARS-CoV-2 main protease
Creator	Butts, Carter Crosby, Marquise Cross, Thomas Diessner, Elizabeth Farahmand, Vesta Martin, Rachel Takahashi, Gemma Zhuang, Shannon
Source	BioRxiv; Medline
abstract	The SARS-CoV-2 main protease (Mpro) is essential to viral replication and cleaves highly specific substrate sequences, making it an obvious target for inhibitor design. However, as for any virus, SARS-CoV-2 is subject to constant selection pressure, with new Mpro mutations arising over time. Identification and structural characterization of Mpro variants is thus critical for robust inhibitor design. Here we report sequence analysis, structure predictions, and molecular modeling for seventy-nine Mpro variants, constituting all clinically observed mutations in this protein as of April 29, 2020. Residue substitution is widely distributed, with some tendency toward larger and more hydrophobic residues. Modeling and protein structure network analysis suggest differences in cohesion and active site flexibility, revealing patterns in viral evolution that have relevance for drug discovery.
has issue date	2020-05-15(xsd:dateTime)
bibo:doi	10.1101/2020.05.15.097493
bibo:pmid	32511408
has license	biorxiv
sha1sum (hex)	e168c5a79dd1692aea1945b83067fdee9f3168c8
schema:url	https://doi.org/10.1101/2020.05.15.097493
resource representing a document's title	Sequence characterization and molecular modeling of clinically relevant variants of the SARS-CoV-2 main protease
has PubMed identifier	32511408
schema:publication	bioRxiv
resource representing a document's body	covid:e168c5a79dd1692aea1945b83067fdee9f3168c8#body_text
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