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Evaluation of drug likeliness of (Z)-4-((4-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one by computational analysis against coronavirus and T-cells of immune system

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Title Evaluation of drug likeliness of (Z)-4-((4-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one by computational analysis against coronavirus and T-cells of immune system
 
Creator M, Gowri
S, Athimoolam
 
Subject Vanillin
4-Aminoantipyrine
Crystal structure
TCR-MHC-like molecule
Covid-19 main protease
 
Description 559-567
The Schiff base (Z)-4-((4-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazole-3-
one (VAP) has been synthesized by the condensation of 4-aminoantipyrine with vanillin and and characterized by FT-IR, 1H
and 13C NMR spectroscopy. The structure of the synthesized compound has been confirmed by single-crystal X-ray
diffraction studies, which shows that four units of the compound are in an asymmetric part of the crystal structure. The
potential activity of synthesized Schiff base compound has been determined by molecular docking with T-cells (6bnk) and
against Coronavirus (6lu7).
 
Date 2023-06-15T07:23:28Z
2023-06-15T07:23:28Z
2023-06
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/62037
https://doi.org/10.56042/ijc.v62i6.2511
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.62(06) [June 2023]