L-Proline Catalyzed Knoevenagel Condensation of Aldehydes with Active Methylene Compounds and Their Molecular Modeling Studies for Anti-SARS CoV-2 Potentials
Current Enzyme Inhibition
; 18(2):145-159, 2022.
Article
in English
| Scopus | ID: covidwho-2029889
ABSTRACT
Introduction:
An efficient one-pot synthesis of 2-alkylidene/arylidene derivatives was reported from active methylene compounds such as malononitrile/ethyl cyanoacetate/5-methyl-2,4dihydro-3H-pyrazol-3-one and aldehydes in the presence of 10 mol% of L-proline (ethanol at room temperature).Methods:
All derivatives were obtained in good to excellent yields. The structures of the synthesized compounds were confirmed from their FTIR (Fourier-transform infrared spectroscopy),1H-NMR (Proton nuclear magnetic resonance), and mass spectroscopy. The importance of these compounds is predicted from their SAR (structure-activity relationship) study. Moreover, these newer compounds were further docked into various therapeutic targets of the SARS-CoV-2 (severe acute respiratory syndromerelated coronavirus) virus.Results:
Results from our molecular docking suggest that these compounds have good inhibitory properties on the SARS-CoV-2 virus.Conclusion:
L-proline (bifunctional organic catalyst) is found to be the best catalyst for the synthesis of different condensed products from active methylene compounds and aldehydes. © 2022 Bentham Science Publishers.
Full text:
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Collection:
Databases of international organizations
Database:
Scopus
Language:
English
Journal:
Current Enzyme Inhibition
Year:
2022
Document Type:
Article
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