A possible potential COVID-19 drug candidate: Diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate: Docking of disordered independent molecules of a novel crystal structure, HSA/DFT/XRD and cytotoxicity

Title
A possible potential COVID-19 drug candidate: Diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate: Docking of disordered independent molecules of a novel crystal structure, HSA/DFT/XRD and cytotoxicity
Authors
Keywords
Malonate-based quinoxaline, Crystal structure, COVID-19, DFT, In silico, molecular docking, Hirshfeld surface analysis (HSA), ADMET, PASS
Journal
Arabian Journal of Chemistry
Volume 15, Issue 2, Pages 103595
Publisher
Elsevier BV
Online
2021-11-28
DOI
10.1016/j.arabjc.2021.103595

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