Ligand-based Drug Design Approach in Designing New Leads from Existing Pharmacophores; Binding Pocket Estimation and Binding Pocket-directed Screening of Antiviral Drugs for Treatment of Novel Corona COVID-19 and Topoisomerase Inhibitors
Dushyanth R Vennapu, Mahesh S Palled
Docking, Hits and leads, Homology
Citation Information :
Vennapu DR, Palled MS. Ligand-based Drug Design Approach in Designing New Leads from Existing Pharmacophores; Binding Pocket Estimation and Binding Pocket-directed Screening of Antiviral Drugs for Treatment of Novel Corona COVID-19 and Topoisomerase Inhibitors. Indian J Med Biochem 2020; 24 (3):143-148.
Using the homology modeling-derived protein structure, and literature-reported cases of the treatment of coronavirus by chloroquine and remdesivir. ICMR guidelines for the usage of a low toxic metabolite of chloroquine hydroxychloroquine as prophylactic medication for healthcare professionals as preventive measures for those who treat corona patients. Further, Japanese flu drug favipiravir in treatment is efficient in the treatment of corona. The protein model suggested by I-TASSER was used in docking; the active site of the protein was predicted using similarity search and the potential leads are screened for their efficiency in combating corona outbreak from epidemic to pandemic.
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