Prediction of Potential Repurposed Drugs against SARS-CoV-2 based on Text Mining and Molecular Docking Analysis
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Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2
AbstractThe ongoing pandemic of Coronavirus Disease 2019 (COVID-19) has posed a serious threat to global public health. Drug repurposing is a time-efficient approach to finding effective drugs against SARS-CoV-2 in this emergency. Here, we present a ...
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Highlights- Drug repurposing to treat Covid, combining both deep learning and molecular docking simulations.
- A deep learning model called DeepDTA with few improvements have been utilized.
- AutoDock based platform Virtualflow has been employed ...
Identification of Potential SARS-CoV-2 Main Protease Inhibitors Using Drug Repurposing and Molecular Modeling
Bioinformatics Research and ApplicationsAbstractStructure-based virtual screening of a molecular library of bioactive compounds was carried out to identify potential inhibitors against SARS-CoV-2 main protease (Mpro), an enzyme critically important for mediating viral replication and ...
Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods
AbstractHighly 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 ...
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Highlights- The SARS-CoV-2 main protease (Mpro) was used for drug target for its polyprotein processing role in translation.
- Phytochemical library preserved 2431 phytochemicals from medicinal plants exhibited medicinal and antioxidant properties.
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Association for Computing Machinery
New York, NY, United States
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- Research-article
- Research
- Refereed limited
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- National Natural Science Foundation of China
- Innovation Foundation of High-end Scientific Research Institutions in Zhongshan of China
- Natural Science Foundation of Guangdong Province of China
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