Abstract
The Coronavirus Disease (COVID-19) has recently emerged as a human pathogen caused by SARS-CoV-2 virus was first reported from Wuhan, China, on 31 December 2019. Upon study, it has been used molecular docking to binding affinity between COVID-19 protease enzyme and flavonoids with evaluations based on docking scores calculated by AutoDock Vina. Results showed that naringin suppressed COVID-19 protease, as it has the highest binding value than other flavonoids including quercetin, hesperetin, garcina and naringenin. An important finding in this study is that naringin with neighboring poly hydroxyl groups can serve as inhibitors of COVID-19 protease bind to the S pocket of protein, it is shown that residues His163, Glu166, Asn142, His41and PHe181 participate in the hydrogen bonding and pi-pi interactions, the same as happened with decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.In other hand, some of the known protease inhibitors and anti-influenza drugs docked with COVID-19 protease, it has low binding value than naringin
Highlights
The novel coronavirus disease (COVID19) was first identified in Wuhan, China, in December 2019 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV2) which can be transmitted effectively between human to human and animal to human through droplets or direct contact, causing fever, cough, shortness of breath, pneumonia and kidney failure [1,2]
CoVs encode proteases such as papain-like protease (PLpro) and main protease (Mpro), which are involved in the proteolytic processing of the polyproteins into individual non-structural proteins to control viral gene expression and replication [11,12]
The crystal structure of COVID-19 main protease with N3 as inhibitors(6LU7.pdb)(http://www.rcsb.org/structure /6LU7)(15)(Figure2),available in Protein Data Bank was used as a receptor
Summary
The novel coronavirus disease (COVID19) was first identified in Wuhan, China, in December 2019 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV2) which can be transmitted effectively between human to human and animal to human through droplets or direct contact, causing fever, cough, shortness of breath, pneumonia and kidney failure [1,2]. Alpha- and Beta coronaviruses mainly infect bats, but they infect other species like humans, camels, and rabbits [46].COVID-19 is closely related to two high pathogenic responsible for Severe Acute Respiratory Syndrome (SARS-CoV) in 2002 and Middle East Respiratory Syndrome (MERS-CoV) in 2012(7-9). The crystallized form of COVID-19 main protease (Mpro) was demonstrated by a Chinese researcher Liu et al[13], that it is a potential drug target protein for the inhibition of SARS-CoV-2 replication. Targeting Mpro has the potential to provide effective treatment against SARS-CoV-2 by inhibition of the viral polypeptide cleavage [15]. Studies have found that SARSCOV-2 requires angiotensin-converting enzyme 2 (ACE2) and Transmembrane Serine Protease 2 (TMPRSS2), to enter lung cells, the same cellular entry receptor as SARS-CoV to infect humans (16120)
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Iraqi Journal of Pharmaceutical Sciences ( P-ISSN: 1683 - 3597 , E-ISSN : 2521 - 3512)
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
