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Quest for Anti-SARS-CoV-2 antiviral therapeutics: in-silico and in-vitro analysis of edible mushroom- Cordyceps militaris.
Gandhale, Pradeep; Chikhale, Rupesh; Khanal, Pukar; Biswa, Vashkar; Ali, Raju; Khan, Mohd Shahnawaz; Gurav, Nilambari; Ayyanar, Muniappan; Das, Sandeep; Gurav, Shailendra.
Afiliación
  • Gandhale P; ICAR-National Institute of High-Security Animal Diseases, Bhopal, Madhya Pradesh- 462 021, India.
  • Chikhale R; UCL School of Pharmacy, 29-39 Brunswick Square, London, WC1N 1AX, UK.
  • Khanal P; Department of Pharmacology, KLE College of Pharmacy Belagavi, KLE Academy of Higher Education and Research (KAHER) Belagavi- 590010, India.
  • Biswa V; Department of Biotechnology, Bodoland University, Assam, 783 370, India.
  • Ali R; Department of Biotechnology, Bodoland University, Assam, 783 370, India.
  • Khan MS; Department of Biochemistry, College of Science, King Saud University, Riyadh, Saudi Arabia.
  • Gurav N; Department of Pharmacognosy, PES's Rajaram and Tarabai Bandekar College of Pharmacy, Ponda, Goa-403 401, India.
  • Ayyanar M; Department of Botany, A.V.V.M. Sri Pushpam College (Autonomous), Poondi (Affiliated to Bharathidasan University), Thanjavur, Tamil Nadu, India.
  • Das S; Department of Biotechnology, Bodoland University, Assam, 783 370, India.
  • Gurav S; Department of Pharmacognosy, Goa College of Pharmacy, Goa University, Goa- 403 001, India. Electronic address: shailendra.gurav@nic.in.
J Ayurveda Integr Med ; 15(3): 100979, 2024.
Article en En | MEDLINE | ID: mdl-38871595
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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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Ayurveda Integr Med Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Ayurveda Integr Med Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Estados Unidos