FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100658618> ?p ?o ?g. }

• W3100658618 endingPage "025001" @default.
• W3100658618 startingPage "025001" @default.
• W3100658618 abstract "Abstract Using as a template the crystal structure of the SARS-CoV-2 main protease, we developed a pharmacophore model of functional centers of the protease inhibitor-binding pocket. With this model, we conducted data mining of the conformational database of FDA-approved drugs. This search brought 64 compounds that can be potential inhibitors of the SARS-CoV-2 protease. The conformations of these compounds undergone 3D fingerprint similarity clusterization. Then we conducted docking of possible conformers of these drugs to the binding pocket of the protease. We also conducted the same docking of random compounds. Free energies of the docking interaction for the selected compounds were clearly lower than random compounds. Three of the selected compounds were carfilzomib, cyclosporine A, and azithromycin—the drugs that already are tested for COVID-19 treatment. Among the selected compounds are two HIV protease inhibitors and two hepatitis C protease inhibitors. We recommend testing of the selected compounds for treatment of COVID-19." @default.
• W3100658618 created "2020-11-23" @default.
• W3100658618 creator A5038899884 @default.
• W3100658618 creator A5047059421 @default.
• W3100658618 creator A5050071283 @default.
• W3100658618 date "2021-01-21" @default.
• W3100658618 modified "2023-09-23" @default.
• W3100658618 title "Potential SARS-CoV-2 protease M^pro inhibitors: repurposing FDA-approved drugs" @default.
• W3100658618 cites W1757990252 @default.
• W3100658618 cites W2027484375 @default.
• W3100658618 cites W2049789253 @default.
• W3100658618 cites W2055039476 @default.
• W3100658618 cites W2158812536 @default.
• W3100658618 cites W2171291163 @default.
• W3100658618 cites W2171353131 @default.
• W3100658618 cites W2284201926 @default.
• W3100658618 cites W2980655992 @default.
• W3100658618 cites W3003217347 @default.
• W3100658618 cites W3003464757 @default.
• W3100658618 cites W3004280078 @default.
• W3100658618 cites W3004896487 @default.
• W3100658618 cites W3007386177 @default.
• W3100658618 cites W3008142620 @default.
• W3100658618 cites W3009828946 @default.
• W3100658618 cites W3009906937 @default.
• W3100658618 cites W3010930696 @default.
• W3100658618 cites W3011701533 @default.
• W3100658618 cites W3012440244 @default.
• W3100658618 cites W3015769528 @default.
• W3100658618 cites W3023082818 @default.
• W3100658618 cites W3035853597 @default.
• W3100658618 cites W3046385872 @default.
• W3100658618 cites W3046891979 @default.
• W3100658618 cites W3048784324 @default.
• W3100658618 cites W3048929918 @default.
• W3100658618 cites W3081803026 @default.
• W3100658618 cites W3081918364 @default.
• W3100658618 cites W3089710238 @default.
• W3100658618 cites W3113576020 @default.
• W3100658618 cites W4254118297 @default.
• W3100658618 doi "https://doi.org/10.1088/1478-3975/abcb66" @default.
• W3100658618 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33203811" @default.
• W3100658618 hasPublicationYear "2021" @default.
• W3100658618 type Work @default.
• W3100658618 sameAs 3100658618 @default.
• W3100658618 citedByCount "3" @default.
• W3100658618 countsByYear W31006586182021 @default.
• W3100658618 countsByYear W31006586182022 @default.
• W3100658618 crossrefType "journal-article" @default.
• W3100658618 hasAuthorship W3100658618A5038899884 @default.
• W3100658618 hasAuthorship W3100658618A5047059421 @default.
• W3100658618 hasAuthorship W3100658618A5050071283 @default.
• W3100658618 hasBestOaLocation W31006586182 @default.
• W3100658618 hasConcept C103637391 @default.
• W3100658618 hasConcept C142724271 @default.
• W3100658618 hasConcept C159110408 @default.
• W3100658618 hasConcept C181199279 @default.
• W3100658618 hasConcept C185592680 @default.
• W3100658618 hasConcept C18903297 @default.
• W3100658618 hasConcept C2776714187 @default.
• W3100658618 hasConcept C2779134260 @default.
• W3100658618 hasConcept C2780035454 @default.
• W3100658618 hasConcept C3007834351 @default.
• W3100658618 hasConcept C3008058167 @default.
• W3100658618 hasConcept C41685203 @default.
• W3100658618 hasConcept C519536355 @default.
• W3100658618 hasConcept C524204448 @default.
• W3100658618 hasConcept C55493867 @default.
• W3100658618 hasConcept C56173144 @default.
• W3100658618 hasConcept C70721500 @default.
• W3100658618 hasConcept C71240020 @default.
• W3100658618 hasConcept C71924100 @default.
• W3100658618 hasConcept C86803240 @default.
• W3100658618 hasConcept C98274493 @default.
• W3100658618 hasConceptScore W3100658618C103637391 @default.
• W3100658618 hasConceptScore W3100658618C142724271 @default.
• W3100658618 hasConceptScore W3100658618C159110408 @default.
• W3100658618 hasConceptScore W3100658618C181199279 @default.
• W3100658618 hasConceptScore W3100658618C185592680 @default.
• W3100658618 hasConceptScore W3100658618C18903297 @default.
• W3100658618 hasConceptScore W3100658618C2776714187 @default.
• W3100658618 hasConceptScore W3100658618C2779134260 @default.
• W3100658618 hasConceptScore W3100658618C2780035454 @default.
• W3100658618 hasConceptScore W3100658618C3007834351 @default.
• W3100658618 hasConceptScore W3100658618C3008058167 @default.
• W3100658618 hasConceptScore W3100658618C41685203 @default.
• W3100658618 hasConceptScore W3100658618C519536355 @default.
• W3100658618 hasConceptScore W3100658618C524204448 @default.
• W3100658618 hasConceptScore W3100658618C55493867 @default.
• W3100658618 hasConceptScore W3100658618C56173144 @default.
• W3100658618 hasConceptScore W3100658618C70721500 @default.
• W3100658618 hasConceptScore W3100658618C71240020 @default.
• W3100658618 hasConceptScore W3100658618C71924100 @default.
• W3100658618 hasConceptScore W3100658618C86803240 @default.
• W3100658618 hasConceptScore W3100658618C98274493 @default.
• W3100658618 hasIssue "2" @default.
• W3100658618 hasLocation W31006586181 @default.
• W3100658618 hasLocation W31006586182 @default.

• next