Novel Inhibitors of 2'-O-Methyltransferase of the SARS-CoV-2 Coronavirus.

ABSTRACT: The COVID-19 pandemic is still affecting many people worldwide and causing a heavy burden to global health. To eliminate the disease, SARS-CoV-2, the virus responsible for the pandemic, can be targeted in several ways. One of them is to inhibit the 2'-O-methyltransferase (nsp16) enzyme that is crucial for effective translation of viral RNA and virus replication. For methylation of substrates, nsp16 utilizes S-adenosyl methionine (SAM). Binding of a small molecule in the protein site where SAM binds can disrupt the synthesis of viral proteins and, as a result, the replication of the virus. Here, we performed high-throughput docking into the SAM-binding site of nsp16 for almost 40 thousand structures, prepared for compounds from three libraries: Enamine Coronavirus Library, Ena

SUBMITTER: Sulimov A 

PROVIDER: S-EPMC9100384 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature