Repurposing of Medicinal Plants Used in Siddha Formulations As Potential Protease Inhibitors of COVID-19: An in silico Approach

27 Pages Posted: 20 Jul 2020

See all articles by Bhumi Shah

Bhumi Shah

L. J. Institute of Pharmacy

Sathiyarajeswaran P

Siddha Central Research Institute (CCRS)

Shree Devi MS

Central Council for Research in Siddha

Kanakavalli K

Central Council for Research in Siddha, Ministry of AYUSH

Kirubakaran Narayanan

Siddha Central Research Institute (CCRS)

Karthik L

Salem Microbes Private Limited

Date Written: July 13, 2020

Abstract

Background: The Coronavirus disease (COVID-19) caused by the virus SARS-CoV-2 has become a global pandemic in a short time has infected about 1,203,959 patients and brought forth death rate about 64,788 among 206 countries as mentioned by WHO in the month of April 2020. Currently, there is no specific treatment or vaccine for fighting against this infectious disease and scientists agree that possible therapeutic may arise through drug repositioning. Herbal medicine are achieving attention because of the extensive therapeutics like potent antiviral, immunomodulatory, anti-inflammatory, and anti-oxidant properties.

Materials and methods: This study was planned to screen herbs from Siddha that have the potential to increase host immune system as well as blocking virus entry in host cells. Official Siddha formulation Kabasura Kudineer, Nilavembu Kudineer, and Novel Siddha formulation – JACOM are already being in use as antiviral, immunomodulatory, anti-inflammatory, and antioxidant. 54 molecules identified and surveyed via docking study. Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY).

Results: Out of these 54 Phytoconstituents, 30 Phytoconstituents were found to interact with > 2 protein structures of COVID-19. The docking results indicate that amongst the reported molecules 4 out 5 protein structure (PDB ID: 5R7Y, 5R7Z, 5R80, 5R81 and 5R82) showed promising results of binding to COVID-19 enzyme. So this formulations may be useful as a therapeutic and/or prophylactic agent for restricting viral attachment to the host cells.

Discussion: The drug repurposing study provide an insight in terms of binding of active ingredients present in different plants used in formulations and targets enzymes for treatment of the COVID19.

Note: Conflict of Interest: No potential conflict of interest was reported by the author(s).

Funding: None to declare

Keywords: COVID-19, SARS-CoV-2, Siddha Medicine, Medicinal plants, AYUSH

Suggested Citation

Shah, Bhumi and P, Sathiyarajeswaran and MS, Shree Devi and K, Kanakavalli and Narayanan, Kirubakaran and L, Karthik, Repurposing of Medicinal Plants Used in Siddha Formulations As Potential Protease Inhibitors of COVID-19: An in silico Approach (July 13, 2020). Available at SSRN: https://ssrn.com/abstract=3650390 or http://dx.doi.org/10.2139/ssrn.3650390

Bhumi Shah

L. J. Institute of Pharmacy

India

Sathiyarajeswaran P

Siddha Central Research Institute (CCRS) ( email )

Chennai
Tamilnadu, TN 600106
India
600106 (Fax)

Shree Devi MS (Contact Author)

Central Council for Research in Siddha ( email )

Chennai
Tamilnadu, TN TAMIL NADU 600106
India
09443056180 (Phone)
600106 (Fax)

Kanakavalli K

Central Council for Research in Siddha, Ministry of AYUSH ( email )

Chennai
Chennai, TN TN 600106
India
600106 (Fax)

Kirubakaran Narayanan

Siddha Central Research Institute (CCRS) ( email )

Chennai
Tamilnadu, TN 600106
India

Karthik L

Salem Microbes Private Limited ( email )

21/10C, Bajanai Madam Street
Gugai
Salem, TN TAMIL NADU 636 006
India
636 006 (Fax)

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