Quest for Anti-SARS-CoV-2 Antiviral Therapeutics: In-silico and In-vitro Analysis of Edible Mushroom- Cordyceps Militaris

Overview

Journal J Ayurveda Integr Med

Publisher Elsevier

Date 2024 Jun 13

PMID 38871595

Authors

Pradeep Gandhale

Rupesh Chikhale

Pukar Khanal

Vashkar Biswa

Raju Ali

Mohd Shahnawaz Khan

Nilambari Gurav

Muniappan Ayyanar

Sandeep Das

Shailendra Gurav

Affiliations

Soon will be listed here.

Abstract

Background: The emergence and evolution of SARS-CoV-2 resulted a severe threat to public health globally. Due to the lack of an effective vaccine with durable immunity, the disease transited into the endemic phase, necessitating potent antiviral therapy including a scientific basis for current traditional herbal medicine.

Objective: This study aimed to conduct a pharmacoinformatic analysis of selected chemical ingredients and in-vitro evaluation of Cordyceps militaris extract against SARS-CoV-2.

Materials And Methods: C. militaris, the widely used fungus in conventional herbal medicine, was subjected to computational investigation using molecular docking, molecular dynamic simulation and network pharmacology analysis followed by the in-vitro assay for evaluating its anti-SARS-CoV-2 potential.

Results: The molecular docking analysis of C. militaris revealed the Cordycepin's highest affinity (-9.71 kcal/mol) than other molecules, i.e., Cicadapeptin-I, Cicadapeptin-II, Cordycerebroside-B, and N-Acetyl galactosamine to the receptor binding domain of the SARS-CoV-2 spike protein. C. militaris aqueous extract could reduce the SARS-CoV-2 viral copy numbers by 50.24% using crude extract at 100 μg/mL concentration.

Conclusion: These findings suggest that C. militaris has promising anti-SARS-CoV-2 activity and may be explored as traditional medicine for managing the COVID-19 surge in the endemic phase.

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