Matches in SemOpenAlex for { <https://semopenalex.org/work/W4220798891> ?p ?o ?g. }
- W4220798891 endingPage "73" @default.
- W4220798891 startingPage "45" @default.
- W4220798891 abstract "In this study, we report the synthesis, characterization and theoretical study of an organic compound namely N-((2,3-dichlorophenyl)(ethoxy)methyl)-2-methoxy-4-nitrobenzenamine (L) as potential drug candidate against SARS-CoV-2 main protease. Structural and Hirshfeld surface analysis was carried out on the organic compound (L). The potential application was also assessed through molecular docking and 3-D visualizations of intermolecular interactions with two very important crucial proteins of SARS-CoV-2 (MPro-7C6U & 7C6S). Molecular docking calculations exhibited high binding energy and inhibition constant of −7.4 kcal/mol and 2.413 µM with SARS-CoV-2 MPro. Besides this, an ADMET prediction was also studied. This study provides an alternative and viable therapeutic agent for SARS-CoV-2 virus." @default.
- W4220798891 created "2022-04-03" @default.
- W4220798891 creator A5050013875 @default.
- W4220798891 creator A5055292287 @default.
- W4220798891 date "2022-03-23" @default.
- W4220798891 modified "2023-10-16" @default.
- W4220798891 title "Molecular docking, X-ray crystallography, Hirshfeld surface and computational studies of <i>N</i>-((2,3-dichlorophenyl)(ethoxy)methyl)-2-methoxy-4-nitrobenzenamine" @default.
- W4220798891 cites W1653739410 @default.
- W4220798891 cites W1905183855 @default.
- W4220798891 cites W1967037524 @default.
- W4220798891 cites W1968339413 @default.
- W4220798891 cites W1969735540 @default.
- W4220798891 cites W1971886065 @default.
- W4220798891 cites W1974741171 @default.
- W4220798891 cites W1982712182 @default.
- W4220798891 cites W1986168614 @default.
- W4220798891 cites W1995729567 @default.
- W4220798891 cites W2000377274 @default.
- W4220798891 cites W2008708918 @default.
- W4220798891 cites W2009867031 @default.
- W4220798891 cites W2012488984 @default.
- W4220798891 cites W2012993875 @default.
- W4220798891 cites W2018351873 @default.
- W4220798891 cites W2019687329 @default.
- W4220798891 cites W2022237271 @default.
- W4220798891 cites W2026168947 @default.
- W4220798891 cites W2047962024 @default.
- W4220798891 cites W2049902088 @default.
- W4220798891 cites W2054759209 @default.
- W4220798891 cites W2058403244 @default.
- W4220798891 cites W2064357771 @default.
- W4220798891 cites W2071955309 @default.
- W4220798891 cites W2077796804 @default.
- W4220798891 cites W2105668062 @default.
- W4220798891 cites W2111884823 @default.
- W4220798891 cites W2112850441 @default.
- W4220798891 cites W2119060556 @default.
- W4220798891 cites W2131350133 @default.
- W4220798891 cites W2134967712 @default.
- W4220798891 cites W2142646034 @default.
- W4220798891 cites W2148066840 @default.
- W4220798891 cites W2151625494 @default.
- W4220798891 cites W2180471712 @default.
- W4220798891 cites W2396930286 @default.
- W4220798891 cites W2586429233 @default.
- W4220798891 cites W2929636092 @default.
- W4220798891 cites W2950988442 @default.
- W4220798891 cites W3005212621 @default.
- W4220798891 cites W3006645647 @default.
- W4220798891 cites W3011644370 @default.
- W4220798891 cites W3011802905 @default.
- W4220798891 cites W3015797061 @default.
- W4220798891 cites W3016685184 @default.
- W4220798891 cites W3030344156 @default.
- W4220798891 cites W3048818112 @default.
- W4220798891 cites W3081918364 @default.
- W4220798891 cites W3083358089 @default.
- W4220798891 cites W3092513245 @default.
- W4220798891 cites W3094601148 @default.
- W4220798891 cites W3101046181 @default.
- W4220798891 cites W3102630257 @default.
- W4220798891 cites W3112375435 @default.
- W4220798891 cites W3124539115 @default.
- W4220798891 cites W3187861500 @default.
- W4220798891 cites W3193541924 @default.
- W4220798891 cites W4231649355 @default.
- W4220798891 cites W4233690282 @default.
- W4220798891 cites W4255548396 @default.
- W4220798891 doi "https://doi.org/10.1080/15421406.2022.2055260" @default.
- W4220798891 hasPublicationYear "2022" @default.
- W4220798891 type Work @default.
- W4220798891 citedByCount "0" @default.
- W4220798891 crossrefType "journal-article" @default.
- W4220798891 hasAuthorship W4220798891A5050013875 @default.
- W4220798891 hasAuthorship W4220798891A5055292287 @default.
- W4220798891 hasBestOaLocation W42207988912 @default.
- W4220798891 hasConcept C147597530 @default.
- W4220798891 hasConcept C159110408 @default.
- W4220798891 hasConcept C166950319 @default.
- W4220798891 hasConcept C178790620 @default.
- W4220798891 hasConcept C181199279 @default.
- W4220798891 hasConcept C185592680 @default.
- W4220798891 hasConcept C2776714187 @default.
- W4220798891 hasConcept C2780263894 @default.
- W4220798891 hasConcept C32909587 @default.
- W4220798891 hasConcept C41685203 @default.
- W4220798891 hasConcept C59593255 @default.
- W4220798891 hasConcept C71240020 @default.
- W4220798891 hasConcept C71924100 @default.
- W4220798891 hasConcept C8010536 @default.
- W4220798891 hasConcept C90150868 @default.
- W4220798891 hasConceptScore W4220798891C147597530 @default.
- W4220798891 hasConceptScore W4220798891C159110408 @default.
- W4220798891 hasConceptScore W4220798891C166950319 @default.
- W4220798891 hasConceptScore W4220798891C178790620 @default.
- W4220798891 hasConceptScore W4220798891C181199279 @default.
- W4220798891 hasConceptScore W4220798891C185592680 @default.
- W4220798891 hasConceptScore W4220798891C2776714187 @default.