Green and Regioselective Approach for the Synthesis of 3-Substituted Indole Based 1,2-Dihydropyridine and Azaxanthone Derivatives as a Potential Lead for SARS-CoV-2 and Delta Plus Mutant Virus: DFT and Docking Studies
Jayabal Kamalraja, Dhanasekar Elumalai, Saraswathi Leelakrishnan, Suman Bhattacharya, Venkatesan Rengarajan, Tharanikkarasu Kannan, Shih‐Ching Chuang
Abstract
of SAR-CoV-2 and 9 of them for 7NX7 spike glycoprotein's A chain of Delta plus K417N show greater binding affinity when compared with remdesivir that is the first to receive FDA approval and is currently used as a potent drug for the treatment of COVID-19. These results suggest that indole/pyrrole substituted 1,2-dihydropyridine derivatives are capable of combating SARS-CoV-2 and its Delta plus mutant.
Topics & Concepts
RegioselectivityIndole testChemistryDihydropyridineLipinski's rule of fiveDocking (animal)Combinatorial chemistryStereochemistryPharmacophoreOrganic chemistryBiochemistryCalciumIn silicoNursingGeneMedicineCatalysisComputational Drug Discovery MethodsSynthesis and biological activityMulticomponent Synthesis of Heterocycles