41st World Seminar on COVID-19 (Part VII)
  • Follow

Accepted Abstracts

Ellagic Acid and Liquiritin Phyto-Compounds Play Pivotal Roles in Inhibiting the Fusion Mechanism of 2019-nCoV that Inhibits Virus Entry in Host Cells.

Mohammad Nadeem Khan*
SAIMS & PGI, SAU, Indore, India.

Citation: Khan MN (2023) Ellagic Acid and Liquiritin Phyto-Compounds Play Pivotal Roles in Inhibiting the Fusion Mechanism of 2019-nCoV that Inhibits Virus Entry in Host Cells. 

Received: July 07, 2023         Accepted: July 10, 2023         Published: July 10, 2023

Abstract

The last two to three years were quite frightening for the medical health sector. In this time interval, the whole human civilization was facing serious problems pandemic outbreaks in all over the globe. Due to covid-19 no medicine was working in this pandemic. In view of the potential threat of pandemic, scientists around the world have been running to understand SARS-CoV-2 and investigate the pathophysiology of this disease to find out potential therapeutics and invented novel potential drug moieties. In this current investigational   study, we have screening the In-silico interaction of 2019-nCoV   spike potein(PDB ID_2EW5)  in complex with an Phytoderivatives  Ellagic acid (CID_5281855) and Liquiritin (CID_503737)  and V607 (known inhibitor) as reference using the Auto-DockVina suite. Lead molecule interaction analysis and ADMET analysis using virtual platforms.  The binding energies obtained from the docking with ligand, Ellagic acid, Liquiritin    phytoderivatives molecule and V607 were found to be -4.7, -7.3,12.3 kcal/mol, respectively.   The virtual screening with the help of molecular docking results suggest a higher affinity of the phytoderivatives such as Ellagic acid and Liquiritin and v607, against spike protein.  Based on protein interaction analysis both phytoderivatives bind HR-1 (fusion peptide) domain. Other parametric results showed good absorption activity and not violated Lipinski score of drug-likeness Current virtual hits may be confirms the pharmacological and therapeutic interventions of Ellagic acid and Liquiritin   in novel corona virus entry in host cell by inhibit /block the fusion mechanism from the virus particle. We also expect Ellagic acid and Liquiritin to have a broad and potent antiviral function to other viral pathogens, like HBV, HIV and etc.