In-silico approaches for identification of compounds inhibiting SARS-CoV-2 3CL protease.

ABSTRACT: The world has witnessed of many pandemic waves of SARS-CoV-2. However, the incidence of SARS-CoV-2 infection has now declined but the novel variant and responsible cases has been observed globally. Most of the world population has received the vaccinations, but the immune response against COVID-19 is not long-lasting, which may cause new outbreaks. A highly efficient pharmaceutical molecule is desperately needed in these circumstances. In the present study, a potent natural compound that could inhibit the 3CL protease protein of SARS-CoV-2 was found with computationally intensive search. This research approach is based on physics-based principles and a machine-learning approach. Deep learning design was applied to the library of natural compounds to rank the potential candidates. This proc

SUBMITTER: Zeyaullah M 

PROVIDER: S-EPMC10104361 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature