Matrix metalloproteinase inhibitors identified from Camellia sinensis for COVID-19 prophylaxis: an in silico approach

Abstract

To respond to the public panic, government and private research organizations of every country keep working on the COVID-19 pandemic, even though still there is a lack of more efficacious medicine for the choice of Coronavirus disease treatment. To counteract on this situation several approved drugs including anti-malarial (hydroxychloroquine and chloroquine), and few anti-viral (remdesvir) agents are choice of treatment for COVID-19. However, these agents suffer from certain limitation in their uses and pointed that there is no specific treatment or vaccine available to counter this contagious disease. Hence, there is urgent requirement to find a specific cure for the disease. In this view, there are several ongoing clinical trials of both western and traditional medicines. In present study, phytochemicals from Camellia sinensis were retrieved from the database and identified based on their ability to inhibit matrix metalloproteinase (MMPs) against SARS-CoV-2 main protease. Camellia sinensis entails of a massive number of phytochemicals with a good source of polyphenols such as Catechin, Epicatechin, Epigallocatechin and (-)-Epigallocatechin gallate. Molecular docking was performed using the GLIDE docking module of Schrodinger Suite software. The analysis displayed docking score for the five polyphenols i.e. theaflavin (− 8.701), 1-O-caffeoylquinic acid (− 7.795), Genistein (− 7.168), Epigallocatechin 3-gallate (− 6.282) and Ethyl trans-caffeate (− 5.356). Interestingly, theaflavin and Epigallocatechin 3-gallate have not revealed any side effects. These polyphenolic compounds had a strong binding affinity with hydrogen bonds and a good drug-likeness score. Therefore, Camellia sinensis could be the beneficial option in the prophylaxis of the COVID-19 outbreak.

Cytokine storm in the pathophysiology of COVID-19: Possible functional disturbances of miRNAs

“…The MMPs are a group of proteases directly associated with inflammatory cytokines/chemokines ( e.g. IL-6) [65] , [66] , [67] , [68] , [69] . Based on the assessments, the plasma level of MMP-9 in patients with COVID-19 has been higher than in the control group from the earliest days of hospitalization and has culminated along with the disease progress.…”

Phytotherapy for treatment of cytokine storm in COVID­19

“…Further, molecular docking analysis revealed that five bioactive polyphenols of Camellia sinensis viz. theaflavin, epigallocatechin 3-gallate, genistein, 1-O-caffeoylquinic acid and ethyl transcaffeate showed affinity against matrix metalloproteinase (MMPs) against SARS-CoV-2 main protease [198]. Among these five polyphenolic compounds, theaflavin and epigallocatechin 3-gallate showed strong affinity and good drug likeness score and could be beneficial option in the prophylaxis of COVID-19 outbreak [198].…”

“…theaflavin, epigallocatechin 3-gallate, genistein, 1-O-caffeoylquinic acid and ethyl transcaffeate showed affinity against matrix metalloproteinase (MMPs) against SARS-CoV-2 main protease [198]. Among these five polyphenolic compounds, theaflavin and epigallocatechin 3-gallate showed strong affinity and good drug likeness score and could be beneficial option in the prophylaxis of COVID-19 outbreak [198]. In consistent to this, a similar study suggested that EGCG and theaflavin mainly theaflavin-3, 3'-digallate (TF3) showed significant interaction with the receptor binding domain of SARS-CoV-2 [199].…”

Potent phytochemicals against COVID-19 infection from phyto-materials used as antivirals in complementary medicines: a review

“…The SARS-CoV-2 inhibitory effect of Indian ginseng was proven in silico by Chikhale et al [ 95 ]. The matrix metalloproteinase inhibitors identified from Camellia sinensis showed M pro inhibition [ 96 ]. The computational studies proved that the bioactive compounds had a significant effect on SARS CoV-2.…”