Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico Analysis
Issued Date
2022-08-01
Resource Type
eISSN
14203049
Scopus ID
2-s2.0-85135202720
Pubmed ID
35897915
Journal Title
Molecules
Volume
27
Issue
15
Rights Holder(s)
SCOPUS
Bibliographic Citation
Molecules Vol.27 No.15 (2022)
Suggested Citation
Mahmood R.A., Hasan A., Rahmatullah M., Paul A.K., Jahan R., Jannat K., Bondhon T.A., Mahboob T., Nissapatorn V., de Lourdes Pereira M., Paul T.K., Rumi O.H., Wiart C., Wilairatana P. Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico Analysis. Molecules Vol.27 No.15 (2022). doi:10.3390/molecules27154739 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/83652
Title
Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico Analysis
Other Contributor(s)
Abstract
COVID-19, caused by the coronavirus SARS-CoV-2, emerged in late December 2019 in Wuhan, China. As of 8 April 2022, the virus has caused a global pandemic, resulting in 494,587,638 infections leading to 6,170,283 deaths around the world. Although several vaccines have received emergency authorization from USA and UK drug authorities and two more in Russia and China, it is too early to comment on the prolonged effectiveness of the vaccines, their availability, and affordability for the developing countries of the world, and the daunting task to vaccinate 7 billion people of the world with two doses of the vaccine with additional booster doses. As a result, it is still worthwhile to search for drugs and several promising leads have been found, mainly through in silico studies. In this study, we have examined the binding energies of several alkaloids and anthocyanin derivatives from the Solanaceae family, a family which contains common consumable vegetables and fruit items such as eggplant, pepper, and tomatoes. Our study demonstrates that Solanaceae family alkaloids such as incanumine and solaradixine, as well as anthocyanins and anthocyanidins, have very high predicted binding energies for the 3C-like protease of SARS-CoV-2 (also known as Mpro). Since Mpro is vital for SARS-CoV-2 replication, the compounds merit potential for further antiviral research towards the objective of obtaining affordable drugs.