Dataset Information

Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M^pro) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).

ABSTRACT: SARS-CoV-2 main protease (M^pro/3CL^pro) is a crucial target for therapeutics, which is responsible for viral polyprotein cleavage and plays a vital role in virus replication and survival. Recent studies suggest that 2-phenylbenzisoselenazol-3(2H)-one (ebselen) is a potent covalent inhibitor of M^pro, which affects its enzymatic activity and virus survival. Herein, we synthesized various ebselen derivatives to understand the mechanism of M^pro inhibition by ebselen. Using ebselen derivatives, we characterized the detailed interaction mechanism with M^pro. We discovered that modification of the parent ebselen inhibitor with an electron-withdrawing group (NO₂) increases the inhibition efficacy by 2-fold. We also solved the s

SUBMITTER: Sahoo P

PROVIDER: S-EPMC9797022 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature

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Dataset Information

Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M^pro) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).

OmicsDI is part of the ELIXIR infrastructure

Tweets

Dataset Information

Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (Mpro) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).

OmicsDI is part of the ELIXIR infrastructure

Tweets

Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M^pro) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).