Dataset Information

Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (M^pro) using molecular docking and deep learning methods.

ABSTRACT: Highly transmissive and rapidly evolving Coronavirus disease-2019 (COVID-19), a viral disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), triggered a global pandemic, which is one of the most researched viruses in the academia. Effective drugs to treat people with COVID-19 have yet to be developed to reduce mortality and transmission. Studies on the SARS-CoV-2 virus identified that its main protease (M^pro) might be a potential therapeutic target for drug development, as this enzyme plays a key role in viral replication. In search of potential inhibitors of M^pro, we developed a phytochemical library consisting of 2431 phytochemicals from 104 Korean medicinal plants that exhibited medicinal and antioxidant properties. The library was screened

SUBMITTER: Hossain A

PROVIDER: S-EPMC10008098 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Dataset Information

Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (M^pro) using molecular docking and deep learning methods.

OmicsDI is part of the ELIXIR infrastructure

Tweets

Dataset Information

Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods.

OmicsDI is part of the ELIXIR infrastructure

Tweets

Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (M^pro) using molecular docking and deep learning methods.