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Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones

Authors :
Subham G. Patel
Ruturajsinh M. Vala
Paras J. Patel
Dipti B. Upadhyay
V. Ramkumar
Ramesh L. Gardas
Hitendra M. Patel
Source :
RSC Advances. 12:18806-18820
Publication Year :
2022
Publisher :
Royal Society of Chemistry (RSC), 2022.

Abstract

Single-crystal XRD analysis of 2,4-dimethoxy THPQs and their relative reactivity with properties were investigated using DFT calculation. Molecular docking studies show they effectively docked with main protease of SARS-CoV-2.

Details

ISSN :
20462069
Volume :
12
Database :
OpenAIRE
Journal :
RSC Advances
Accession number :
edsair.doi...........20b0a692d237faf5f9c228ab287aade2
Full Text :
https://doi.org/10.1039/d2ra02694e