FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3037812110> ?p ?o ?g. }

• W3037812110 endingPage "22" @default.
• W3037812110 startingPage "13" @default.
• W3037812110 abstract "Background: In the year earlier part of 2020, many scientists urged to discover novel drugs against for the treatments of COVID-19. Coronavirus Disease 2019 (COVID-19), a life-threatening viral disease, was discovered first in China and quickly spread throughout the world. Objective: In the present article, some novel chalcone substituted 9-anilinoacridines (1a-z) were developed by in silico studies for their COVID19 inhibitory activity. Molecular docking studies of the ligands 1a-z were performed against COVID19 (PDB id - 5R82) targeting the coronavirus using Schrodinger suite 2019-4. Methods: The molecular docking studies were performed by the Glide module and the binding energy of ligands was calculated using the PRIME MM-GB/SA module of Schrodinger suite 2019-4. Results: From the results, many compounds are significantly active against COVID19 with a Glide score of more than -5.6 when compared to the currently used drug for the treatment of COVID19, Hydroxychloroquine (-5.47). The docking results of the compounds exhibited similar mode of interactions with COVID19 and the residues, THR25, THR26, LEU27, SER46, MET49, HIE41, GLN189, ARG188, ASP187, VAL186, HIE164, ASN142, and GLY143 play a crucial role in binding with ligands. MMGBSA binding calculations of the most potent inhibitors are more stably favourable. Conclusion: From the results of in-silico studies, it provides strong evidence for the consideration of valuable ligands in chalcone substituted 9-anilinoacridines as potential COVID19 inhibitors and the compounds, 1x,a,r,s with significant Glide scores may produce significant COVID19 activity for further development, which may prove their therapeutic potential." @default.
• W3037812110 created "2020-07-02" @default.
• W3037812110 creator A5015514216 @default.
• W3037812110 date "2020-09-08" @default.
• W3037812110 modified "2023-09-25" @default.
• W3037812110 title "Activity of Some Novel Chalcone Substituted 9-anilinoacridines against Coronavirus (COVID-19): A Computational Approach" @default.
• W3037812110 cites W178181519 @default.
• W3037812110 cites W1971569921 @default.
• W3037812110 cites W1985570405 @default.
• W3037812110 cites W1987006829 @default.
• W3037812110 cites W2001124223 @default.
• W3037812110 cites W2001889585 @default.
• W3037812110 cites W2015734461 @default.
• W3037812110 cites W2017180838 @default.
• W3037812110 cites W2034025306 @default.
• W3037812110 cites W2034562425 @default.
• W3037812110 cites W2039474772 @default.
• W3037812110 cites W2071795774 @default.
• W3037812110 cites W2076650056 @default.
• W3037812110 cites W2091734240 @default.
• W3037812110 cites W2093154530 @default.
• W3037812110 cites W2101223407 @default.
• W3037812110 cites W2116122374 @default.
• W3037812110 cites W2140247386 @default.
• W3037812110 cites W2178961900 @default.
• W3037812110 cites W2204586394 @default.
• W3037812110 cites W2276575276 @default.
• W3037812110 cites W2572609517 @default.
• W3037812110 cites W2899159098 @default.
• W3037812110 cites W2937177631 @default.
• W3037812110 cites W2947288124 @default.
• W3037812110 cites W2951851972 @default.
• W3037812110 cites W2972710619 @default.
• W3037812110 cites W3001118548 @default.
• W3037812110 cites W3003217347 @default.
• W3037812110 cites W3003332295 @default.
• W3037812110 cites W3003430844 @default.
• W3037812110 cites W3003465021 @default.
• W3037812110 cites W3004151654 @default.
• W3037812110 cites W3004280078 @default.
• W3037812110 cites W3004318991 @default.
• W3037812110 cites W3005690553 @default.
• W3037812110 cites W3008394341 @default.
• W3037812110 cites W3008443627 @default.
• W3037812110 cites W3008997778 @default.
• W3037812110 cites W3009351593 @default.
• W3037812110 cites W3014067025 @default.
• W3037812110 cites W3165656738 @default.
• W3037812110 cites W4245337180 @default.
• W3037812110 doi "https://doi.org/10.2174/2666796701999200625210746" @default.
• W3037812110 hasPublicationYear "2020" @default.
• W3037812110 type Work @default.
• W3037812110 sameAs 3037812110 @default.
• W3037812110 citedByCount "4" @default.
• W3037812110 countsByYear W30378121102022 @default.
• W3037812110 countsByYear W30378121102023 @default.
• W3037812110 crossrefType "journal-article" @default.
• W3037812110 hasAuthorship W3037812110A5015514216 @default.
• W3037812110 hasBestOaLocation W30378121101 @default.
• W3037812110 hasConcept C104317684 @default.
• W3037812110 hasConcept C142724271 @default.
• W3037812110 hasConcept C159047783 @default.
• W3037812110 hasConcept C159110408 @default.
• W3037812110 hasConcept C185592680 @default.
• W3037812110 hasConcept C2775905019 @default.
• W3037812110 hasConcept C2777648638 @default.
• W3037812110 hasConcept C2779134260 @default.
• W3037812110 hasConcept C2780764945 @default.
• W3037812110 hasConcept C3007834351 @default.
• W3037812110 hasConcept C3008058167 @default.
• W3037812110 hasConcept C41685203 @default.
• W3037812110 hasConcept C524204448 @default.
• W3037812110 hasConcept C55493867 @default.
• W3037812110 hasConcept C65556437 @default.
• W3037812110 hasConcept C70721500 @default.
• W3037812110 hasConcept C71240020 @default.
• W3037812110 hasConcept C71924100 @default.
• W3037812110 hasConcept C86803240 @default.
• W3037812110 hasConceptScore W3037812110C104317684 @default.
• W3037812110 hasConceptScore W3037812110C142724271 @default.
• W3037812110 hasConceptScore W3037812110C159047783 @default.
• W3037812110 hasConceptScore W3037812110C159110408 @default.
• W3037812110 hasConceptScore W3037812110C185592680 @default.
• W3037812110 hasConceptScore W3037812110C2775905019 @default.
• W3037812110 hasConceptScore W3037812110C2777648638 @default.
• W3037812110 hasConceptScore W3037812110C2779134260 @default.
• W3037812110 hasConceptScore W3037812110C2780764945 @default.
• W3037812110 hasConceptScore W3037812110C3007834351 @default.
• W3037812110 hasConceptScore W3037812110C3008058167 @default.
• W3037812110 hasConceptScore W3037812110C41685203 @default.
• W3037812110 hasConceptScore W3037812110C524204448 @default.
• W3037812110 hasConceptScore W3037812110C55493867 @default.
• W3037812110 hasConceptScore W3037812110C65556437 @default.
• W3037812110 hasConceptScore W3037812110C70721500 @default.
• W3037812110 hasConceptScore W3037812110C71240020 @default.
• W3037812110 hasConceptScore W3037812110C71924100 @default.
• W3037812110 hasConceptScore W3037812110C86803240 @default.
• W3037812110 hasIssue "1" @default.

• next