Virtual screening based on the structure of more than 10⁵ compounds against four key proteins of SARS-CoV-2: M_Pro, S_RBD, RdRp, and PL_pro.

ABSTRACT:

Background

SARS-CoV-2 initially originated in Wuhan (China) around December 2019, and spread all over the world. Currently, WHO (Word Health Organization) has licensed several vaccines for this viral infection. However, not everyone can be vaccinated. People with underlying health conditions that weaken their immune systems or those with severe allergies to some vaccine components, may not be able to be vaccinated. Moreover, no vaccination is 100% safe, and the emergence of new SARS-CoV-2 mutations may reduce the efficacy of immunizations. Therefore, it is urgent to develop effective drugs to protect people against this virus.

Material and method

We performed structure-based virtual screening (SBVS) of a library that was built from ChemDiv and PubChem databases against four

SUBMITTER: Nabati F 

PROVIDER: S-EPMC9652154 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature