Preprint Article Version 3 This version is not peer-reviewed

Comparative Docking Studies on Curcumin with COVID-19 Proteins

Version 1 : Received: 26 May 2020 / Approved: 27 May 2020 / Online: 27 May 2020 (04:54:08 CEST)
Version 2 : Received: 3 June 2020 / Approved: 4 June 2020 / Online: 4 June 2020 (04:07:01 CEST)
Version 3 : Received: 5 June 2020 / Approved: 7 June 2020 / Online: 7 June 2020 (17:21:49 CEST)

How to cite: Suravajhala, R.; Parashar, A.; Malik, B.; Nagaraj, V.A.; Padmanaban, G.; Kavi Kishor, P.; Polavarapu, R.; Suravajhala, P. Comparative Docking Studies on Curcumin with COVID-19 Proteins. Preprints 2020, 2020050439 (doi: 10.20944/preprints202005.0439.v3). Suravajhala, R.; Parashar, A.; Malik, B.; Nagaraj, V.A.; Padmanaban, G.; Kavi Kishor, P.; Polavarapu, R.; Suravajhala, P. Comparative Docking Studies on Curcumin with COVID-19 Proteins. Preprints 2020, 2020050439 (doi: 10.20944/preprints202005.0439.v3).

Abstract

Corona virus disease 2019 (COVID-19) is caused by a Severe Acute Respiratory Syndrome-Coronavirus 2 (SARS-CoV-2), which is a positive strand RNA virus. The SARS-CoV-2 genome and its association to SAR-CoV-1 vary from ca. 66% to 96% depending on the type of betacoronavirdeae family members. With several drugs, viz. chloroquine, hydroxychloroquine, ivermectin, artemisinin, remdesivir, azithromycin considered for clinical trials, there has been an inherent need to find distinctive antiviral mechanisms of these drugs. Curcumin, a natural bioactive molecule has been shown to have a therapeutic potential for various diseases, but its effect on COVID-19 has not been explored. In this study, we show the binding potential of curcumin targeted to a variety of SARS-CoV-2 proteins, viz. spike glycoproteins (PDB ID: 6VYB), nucleocapsid phosphoprotein (PDB ID: 6VYO), membrane glycoprotein (PDB ID: 6M17) along with nsp10 (PDB ID: 6W4H) and RNA dependent RNA polymerase (PDB ID: 6M71) structures. Our results indicate that curcumin has high binding affinity towards nucleocapsid and nsp 10 proteins with potential antiviral activity.

Subject Areas

curcumin; COVID-19; nucleocapsid phosphoprotein; membrane glycoprotein; antiviral mechanism

Comments (1)

Comment 1
Received: 7 June 2020
Commenter: Prashanth N Suravajhala
Commenter's Conflict of Interests: Author
Comment: The references hav ebeen modified in number format
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