Efficacy of Natural Compounds from Tinospora cordifolia Against SARS-CoV-2 Protease, Surface Glycoprotein and RNA Polymerase

Abstract

Background: Antiviral activity of natural compounds from Tinospora cordifolia (Amritaballi) were evaluated for their efficacy against SARS-CoV-2 targets involved in virus attachment and replication. Materials and Methods: The binding efficacy (binding affinity, K i and IC 50 values) of natural compounds from Tinospora cordifolia were tested using in silco tools against four key SARS-CoV-2 targets i.e., 1) surface glycoprotein (6VSB) and 2) Receptor binding domain (6M0J) both responsible for attachment of the virus to host cell, 3)RNA dependent RNA polymerase (6M71) and 4) main protease (6Y84) responsible for replication of the virus in the host cell. Results: Berberine, Isocolumbin, Magnoflorine and Tinocordiside showed high binding efficacy against all the four key SARS-CoV-2 targets. Tinocordiside and Isocolumbin showed IC 50 value of < 1µM against both 6Y84 and 6VSB. Conclusion: At least four natural compounds from Tinospora cordifolia showed high binding efficacy against SARS-CoV-2 targets involved in attachment and replication of the virus. Hence validating the merit of using Tinospora cordifolia in the clinical management of infection caused by SARS-CoV-2.

Coronil, a Tri-Herbal Formulation, Attenuates Spike-Protein-Mediated SARS-CoV-2 Viral Entry into Human Alveolar Epithelial Cells and Pro-Inflammatory Cytokines Production by Inhibiting Spike Protein-ACE-2 Interaction

“…Likewise, an in-silico study by Tripathi et al 40 determined that Withanoside IV and V can bind to M Pro . Sagar and Kumar 41 noted that Magnoflorine and Palmatine bind to SARS-CoV-2 M Pro , surface glycoprotein and RNA polymerase. Chowdhury et al 42 predicted that tetrahydropalmatine, an important phytoconstituent of T. cordifolia , can bind SARS-CoV-2 M pro , although, this phytocompound was not detected in Coronil by UHPLC analysis.…”

“… 49 A study by Yan et al 50 found that rosmarinic acid can also bind to SARS-CoV-2 M Pro . Tinocordiside, a major phytochemical present in T. cordifolia has been reported by multiple independent computational studies to interact with SARS-CoV-2 surface glycoprotein and RNA polymerase, 41 besides the viral MPro. 39 , 41 In-silico study from our group also showed that tinocordiside binds at the interface of ACE-2-RBD complex and energetically weakens this interaction.…”

Efficacy of Natural Extract from Ocimum Species against Fungus Gnats Infesting Plant Saplings

“…rcsb.org/) and were optimized for molecular docking in the Chimera software as reported before. [13][14][15][16][17] Molecular docking was performed to evaluate the binding affinity of two compounds (Methyl Eugenol and Ursolic Acid) reported in Ocimum extract against the olfactory receptors using AutoDock Vina and the docked proteinligand complex were visualised using the Chimera and PyMOL v 1.8.2.0 software as reported before. [13][14][15][16][17]…”

Natural Products and Nutrients against Different Viral Diseases: Prospects in Prevention and Treatment of SARS-CoV-2

“…However, they did not study all the parameters but hypothesized that Tinospora cordifolia extract could be used as an adjunct to HIV management. The in silico approach against SARS-CoV-2 was tested by Sagar and Kumar [ 61 ]. The key targets they considered for the docking were surface glycoprotein, receptor-binding domain, RNA-dependent RNA polymerase, and protease.…”

“…The key targets they considered for the docking were surface glycoprotein, receptor-binding domain, RNA-dependent RNA polymerase, and protease. The natural compounds from Tinospora cordifolia such as berberine, isocolumbin, magnoflorine, and tinocordiside showed high binding efficacy against all four key targets [ 61 ].…”