Matches in SemOpenAlex for { <https://semopenalex.org/work/W4248475196> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W4248475196 abstract "Repurposing of antivirals is an attractive therapeutic option for the treatment of COVID-19. M pro (also called 3CL pro ) is a key protease of SARS-CoV-2 involved in viral replication, and is a promising drug target for testing the existing antivirals. A major challenge to test the efficacy of antivirals is the conformational plasticity of M pro and its future mutation prone flexibility. To address this, we hereby propose combination therapy by drugging two specific additional pockets of M pro probed in our studies. Long scale Molecular Dynamics (MD) simulations provide evidence of these additional sites being allosteric. Suitable choice of drugs in catalytic and allosteric pockets appear to be essential for combination therapy. Current study, based on docking and extensive set of MD simulations, finds the combination of Elbasvir, Glecaprevir, Ritonavir to be a viable candidate for further experimental drug testing/pharmacophore design for M pro ." @default.
- W4248475196 created "2022-05-12" @default.
- W4248475196 creator A5002299054 @default.
- W4248475196 creator A5045550242 @default.
- W4248475196 creator A5049358805 @default.
- W4248475196 creator A5049751823 @default.
- W4248475196 creator A5086517077 @default.
- W4248475196 date "2020-08-25" @default.
- W4248475196 modified "2023-10-01" @default.
- W4248475196 title "Targeting Allosteric Pockets of SARS-CoV-2 Main Protease Mpro" @default.
- W4248475196 doi "https://doi.org/10.26434/chemrxiv.12857927.v1" @default.
- W4248475196 hasPublicationYear "2020" @default.
- W4248475196 type Work @default.
- W4248475196 citedByCount "0" @default.
- W4248475196 crossrefType "posted-content" @default.
- W4248475196 hasAuthorship W4248475196A5002299054 @default.
- W4248475196 hasAuthorship W4248475196A5045550242 @default.
- W4248475196 hasAuthorship W4248475196A5049358805 @default.
- W4248475196 hasAuthorship W4248475196A5049751823 @default.
- W4248475196 hasAuthorship W4248475196A5086517077 @default.
- W4248475196 hasBestOaLocation W42484751961 @default.
- W4248475196 hasConcept C103637391 @default.
- W4248475196 hasConcept C103697762 @default.
- W4248475196 hasConcept C142462285 @default.
- W4248475196 hasConcept C142724271 @default.
- W4248475196 hasConcept C159047783 @default.
- W4248475196 hasConcept C159110408 @default.
- W4248475196 hasConcept C166342909 @default.
- W4248475196 hasConcept C181199279 @default.
- W4248475196 hasConcept C185592680 @default.
- W4248475196 hasConcept C18903297 @default.
- W4248475196 hasConcept C2779134260 @default.
- W4248475196 hasConcept C2779298103 @default.
- W4248475196 hasConcept C2780035454 @default.
- W4248475196 hasConcept C2993143319 @default.
- W4248475196 hasConcept C3007834351 @default.
- W4248475196 hasConcept C3008058167 @default.
- W4248475196 hasConcept C3013748606 @default.
- W4248475196 hasConcept C41685203 @default.
- W4248475196 hasConcept C519536355 @default.
- W4248475196 hasConcept C524204448 @default.
- W4248475196 hasConcept C55493867 @default.
- W4248475196 hasConcept C56173144 @default.
- W4248475196 hasConcept C70721500 @default.
- W4248475196 hasConcept C71240020 @default.
- W4248475196 hasConcept C71924100 @default.
- W4248475196 hasConcept C86803240 @default.
- W4248475196 hasConcept C98274493 @default.
- W4248475196 hasConceptScore W4248475196C103637391 @default.
- W4248475196 hasConceptScore W4248475196C103697762 @default.
- W4248475196 hasConceptScore W4248475196C142462285 @default.
- W4248475196 hasConceptScore W4248475196C142724271 @default.
- W4248475196 hasConceptScore W4248475196C159047783 @default.
- W4248475196 hasConceptScore W4248475196C159110408 @default.
- W4248475196 hasConceptScore W4248475196C166342909 @default.
- W4248475196 hasConceptScore W4248475196C181199279 @default.
- W4248475196 hasConceptScore W4248475196C185592680 @default.
- W4248475196 hasConceptScore W4248475196C18903297 @default.
- W4248475196 hasConceptScore W4248475196C2779134260 @default.
- W4248475196 hasConceptScore W4248475196C2779298103 @default.
- W4248475196 hasConceptScore W4248475196C2780035454 @default.
- W4248475196 hasConceptScore W4248475196C2993143319 @default.
- W4248475196 hasConceptScore W4248475196C3007834351 @default.
- W4248475196 hasConceptScore W4248475196C3008058167 @default.
- W4248475196 hasConceptScore W4248475196C3013748606 @default.
- W4248475196 hasConceptScore W4248475196C41685203 @default.
- W4248475196 hasConceptScore W4248475196C519536355 @default.
- W4248475196 hasConceptScore W4248475196C524204448 @default.
- W4248475196 hasConceptScore W4248475196C55493867 @default.
- W4248475196 hasConceptScore W4248475196C56173144 @default.
- W4248475196 hasConceptScore W4248475196C70721500 @default.
- W4248475196 hasConceptScore W4248475196C71240020 @default.
- W4248475196 hasConceptScore W4248475196C71924100 @default.
- W4248475196 hasConceptScore W4248475196C86803240 @default.
- W4248475196 hasConceptScore W4248475196C98274493 @default.
- W4248475196 hasLocation W42484751961 @default.
- W4248475196 hasOpenAccess W4248475196 @default.
- W4248475196 hasPrimaryLocation W42484751961 @default.
- W4248475196 hasRelatedWork W2058925182 @default.
- W4248475196 hasRelatedWork W2112883272 @default.
- W4248475196 hasRelatedWork W2136206204 @default.
- W4248475196 hasRelatedWork W2318344963 @default.
- W4248475196 hasRelatedWork W3021415443 @default.
- W4248475196 hasRelatedWork W3087749121 @default.
- W4248475196 hasRelatedWork W3089645616 @default.
- W4248475196 hasRelatedWork W3133700351 @default.
- W4248475196 hasRelatedWork W4237262742 @default.
- W4248475196 hasRelatedWork W4353052177 @default.
- W4248475196 isParatext "false" @default.
- W4248475196 isRetracted "false" @default.
- W4248475196 workType "article" @default.