Natural Compound against COVID-19 in Silico Screening by Attacking Mpro and ACE2 Using Molecular Docking
Keywords:
Covid, SARS-CoV-2, Coronavirus, Auto-docking, Phytochemicals, Mpro, ACE2Abstract
OBJECTIVE: At present, Coronavirus is spreading overall fastly and its control is troublesome on the grounds that there is no powerful antibody or medications accessible in blemish kets. This infection can taint the two creatures and people and cause diseases of the respiratory plot. WHO has pronounced Covid as pandemic and the entire world is battling against Covid. Worldwide, in excess of 199,478 individuals have been determined to have Coronavirus. As of Walk 18, 2020, in excess of 167 nations have been influenced and in excess of 8000 passings have been report-ed. The fundamental nation being influenced is China, followed by Italy, Iran, Spain, France and the USA.
MATERIALS AND TECHNIQUES: Since there are no powerful medications accessible against Covid, we directed virtual screening of phytochemicals to discover novel mixes against this infection. Thus, we made a phytochemical library of 19 phytochemicals from 19 plants, which have been accounted for as antiviral, antibacterial and antifungal action. The phytochemical library was exposed to virtual screening against sub-atomic targets, Principle protease (Mpro) and Angiotensin-Changing over Compound 2 (ACE2).
ENDS: In light of the coupling energy score, we recommend that these mixes can be tried against Covid and used to create successful antiviral medications.
Downloads
References
Islam, M. T., Sarkar, C., El‐Kersh, D. M., Jamaddar, S., Uddin, S. J., Shilpi, J. A., & Mubarak, M. S. (2020). Natural products and their derivatives against coronavirus: A review of the non‐clinical and pre‐clinical data. Phytotherapy Research, 34(10), 2471–2492. https://doi.org/10.1002/ptr.6700
Wink, M. (2020). Potential of DNA Intercalating Alkaloids and Other Plant Secondary Metabolites against SARS-CoV-2 Causing COVID-19. Diversity, 12(5), 175. https://doi.org/10.3390/d12050175
Dhama, K., Patel, S. K., Pathak, M., Yatoo, M. I., Tiwari, R., Malik, Y. S., Singh, R., Sah, R., Rabaan, A. A., Bonilla-Aldana, D. K., & Rodriguez-Morales, A. J. (2020). An update on SARS-CoV-2/COVID-19 with particular reference to its clinical pathology, pathogenesis, immunopathology and mitigation strategies. Travel medicine and infectious disease, 37, 101755. https://doi.org/10.1016/j.tmaid.2020.101755
Naqvi, A., Fatima, K., Mohammad, T., Fatima, U., Singh, I. K., Singh, A., Atif, S. M., Hariprasad, G., Hasan, G. M., & Hassan, M. I. (2020). Insights into SARS-CoV-2 genome, structure, evolution, pathogenesis and therapies: Structural genomics approach. Biochimica et biophysica acta. Molecular basis of disease, 1866(10), 165878. https://doi.org/10.1016/j.bbadis.2020.165878
Samarghandian, S., Farkhondeh, T., & Azimi-Nezhad, M. (2017). Protective Effects of Chrysin Against Drugs and Toxic Agents. Dose-response : a publication of International Hormesis Society, 15(2), 1559325817711782. https://doi.org/10.1177/1559325817711782
Downloads
Published
How to Cite
Issue
Section
License
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.