Natural products may interfere with SARS-CoV-2 attachment to the host cell

Abstract

SARS-CoV-2 has been emerged in December 2019 in China, causing deadly (5% mortality) pandemic pneumonia, termed COVID-19. More than one host-cell receptor is reported to be recognized by the viral spike protein, among them is the cell-surface Heat Shock Protein A5 (HSPA5), also termed GRP78 or BiP. Upon viral infection, HSPA5 is upregulated, then translocating to the cell membrane where it is subjected to be recognized by the SARS-CoV-2 spike. In this study, some natural product compounds are tested against the HSPA5 substrate-binding domain b (SBDb), which reported to be the recognition site for the SARS-CoV-2 spike. Molecular docking and molecular dynamics simulations are used to test some natural compounds binding to HSPA5 SBDb. The results show high to a moderate binding affinity for the phytoestrogens (Diadiazin, Genistein, Formontein, and Biochanin A), chlorogenic acid, linolenic acid, palmitic acid, caffeic acid, caffeic acid phenethyl ester, hydroxytyrosol, cis-p-Coumaric acid, cinnamaldehyde, thymoquinone, and some physiological hormones such as estrogens, progesterone, testosterone, and cholesterol to the HSPA5 SBDb. Based on its binding affinities, the phytoestrogens and estrogens are the best in binding HSPA5, hence may interfere with SARS-CoV-2 attachment to the stressed cells. These compounds can be successful as anti-COVID-19 agents for people with a high risk of cell stress like elders, cancer patients, and front-line medical staff. GRAPHICAL ABSTRACT ARTICLE HISTORY

In vitroefficacy of Artemisinin-based treatments against SARS-CoV-2

“…Interestingly, we found that coffee extracts exhibited in vitro efficacy against SARS-CoV-2. While modelling studies suggested that ingredients in coffee such as chlorogenic acid, caffeic acid, and tannins show activity against SARS-CoV-2, 23 we here provide in vitro evidence of such an effect. Future studies are needed to elucidate the effect of coffee and active ingredients on SARS-CoV-2 in detail.…”

Current Prevention of COVID-19: Natural Products and Herbal Medicine

“…When infected, HSPA5 is upregulated and translocated to the cell membrane where it is recognized by the SARS-CoV-2 spike to drive the infection process. Elfiky et al (Elfiky, 2020) have tested several compounds from natural product against the HSPA5 substratebinding domain b (SBDb) by molecular docking and molecular dynamics simulations. The phytoestrogens (Daidzin, Genistein, Formononetin, and Biochanin A) and estrogens have proximal binding affinities with HSPA5.…”

In-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2

“…Withaferin A, Withanolide D, Enoxacin, Mercaptopurine and Aloe-emodin are tested against various target proteins of viruses (Muralidharan et al, 2020). Conversely, various phytochemicals reported in the literature to possess potential antiviral activity that could be an alternative to restrict the coronavirus replication (Elfiky, 2020). Natural compounds consist of high chemical diversity, lower cost of production than that of biotechnological products or compounds synthesised from combinatorial chemistry and also possess milder or inexistent side effects than chemical drugs (Kitazato et al, 2007).…”