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In silico molecular docking studies of certain commercially available flavonoids as effective antiviral agents against spike glycoprotein of SARS-CoV-2.
Madeswaran, A; Brahmasundari, S; Midhuna, P G.
  • Madeswaran A; Department of Pharmacology, College of Pharmacy, Sri Ramakrishna Institute of Paramedical Sciences, Affiliated to The Tamil Nadu Dr. M.G.R. Medical University, Coimbatore, Tamil Nadu, India. madeswaran2@gmail.com.
Eur Rev Med Pharmacol Sci ; 25(21): 6741-6744, 2021 Nov.
Article in English | MEDLINE | ID: covidwho-1524862
ABSTRACT

OBJECTIVE:

Coronaviruses are large, enveloped, positive-stranded RNA viruses. These viruses contain spike-like projections of glycoprotein on their surface, which appear like a crown. Millions of infections and thousands of deaths have been reported worldwide to date. Hence, the objective of the present study was to look for in silico evaluation of certain commercially available flavonoids against SARS-CoV-2 enzyme. MATERIALS AND

METHODS:

The in silico docking calculations were carried out using AutoDock 4.2 software. For the computational investigation, Apigenin, Catechin, Galangin, Luteolin, Naringenin were selected. An anti-viral drug Remdesivir was selected as reference drug.

RESULTS:

In the present study we found that Naringenin showed excellent binding score with the SARS-CoV-2 enzyme compared to the reference drug and other selected flavonoids.

CONCLUSIONS:

Based on the docking results, we conclude that Naringenin can be considered worthwhile to check its antiviral activity for the management of Coronavirus disease.
Subject(s)

Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Molecular Docking Simulation / Spike Glycoprotein, Coronavirus / SARS-CoV-2 Type of study: Experimental Studies / Prognostic study Limits: Humans Language: English Journal: Eur Rev Med Pharmacol Sci Journal subject: Pharmacology / Toxicology Year: 2021 Document Type: Article Affiliation country: Eurrev_202111_27119

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Molecular Docking Simulation / Spike Glycoprotein, Coronavirus / SARS-CoV-2 Type of study: Experimental Studies / Prognostic study Limits: Humans Language: English Journal: Eur Rev Med Pharmacol Sci Journal subject: Pharmacology / Toxicology Year: 2021 Document Type: Article Affiliation country: Eurrev_202111_27119