Molecular docking identification for the efficacy of natural limonoids against COVID-19 virus main protease
نویسندگان
چکیده
COVID-19 pandemic is the biggest public health problem of century so far.The main protease (Mpro) one enzymes studied as a pharmacological target. In this context, present work aimed to perform virtual screening possible inhibitors against enzyme Mpro, having limonoids object research supposed inhibitors. Molecular docking simulations indicated that have an affinity complex with M-pro.However, Limonine and Nimoliciol showed nonspecific low interactions. conclusion, Limonoids are substances natural origin can be used in study new tools designed combat understand COVID-19.
منابع مشابه
Screening Efficacy of Available HIV Protease Inhibitors on COVID-19 Protease
Background and Aim: Advent of COVID-19 attracted the attentions of researchers to develop drugs for its treatment. Besides efforts on developing new drugs, screening available drugs for efficacy on COVID-19 could be an urgent action of initiating its pharmacotherapy. In this study, efficacy of HIV protease inhibitors on COVID-19 protease has been examined. Methods: Molecular docking based scree...
متن کاملIdentification of Suitable Natural Inhibitor against Influenza A (H1N1) Neuraminidase Protein by Molecular Docking
The influenza A (H1N1) virus, also known as swine flu is a leading cause of morbidity and mortality since 2009. There is a need to explore novel anti-viral drugs for overcoming the epidemics. Traditionally, different plant extracts of garlic, ginger, kalmegh, ajwain, green tea, turmeric, menthe, tulsi, etc. have been used as hopeful source of prevention and treatment of human influenza. The H1N...
متن کاملVirtual screening of HIV-1 protease inhibitors against human cytomegalovirus protease using docking and molecular dynamics.
The clearance of cytomegalovirus viraemia in HIV-1-infected patients may partly result from the inhibition of cytomegalovirus protease by HIV-1 protease inhibitors contained in highly active antiretroviral therapy. We used a computational method to calculate the binding affinity of six HIV-1 protease inhibitors to cytomegalovirus protease based on its X-ray crystallography structure. The calcul...
متن کاملTherapeutic potential of Paclitaxel against COVID-19
The coronavirus disease-2019(COVID-19) was reported in Wuhan, China, in late December 2019 and soon became the most serious global health challenge due to high rate of human-to-human transmission. The severe acute respiratory syndrome coronavirus 2(SARS-CoV-2), is a single-stranded RNA virus and belongs to the large Coronaviridae family. Paclitaxel, an antineoplastic drug extracted from the Tax...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of the Indian Chemical Society
سال: 2021
ISSN: ['0019-4522', '2667-2847']
DOI: https://doi.org/10.1016/j.jics.2021.100157