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Drug Repurposing Targeting COVID-19 3CL Protease using Molecular Docking and Machine Learning Regression Approach
In this study, we joint the molecular docking with machine learning regression approaches to find some prospective therapeutic candidates for COVID-19 treatment.
Hybrid Approach to Identify Druglikeness Leading Compounds against COVID-19 3CL Protease
In the next step, the efficacy of bioactive molecules is computed in terms of binding affinity using molecular docking and then shortlisted six bioactive molecules with ChEMBL IDs 187460, 222769, 225515, 358279, 363535, and 365134.
Drug Repurposing For SARS-COV-2 Using Molecular Docking
Recent advancement in technologies and the availability of the data of genomics, proteomics, transcriptomics, etc., and with the accessibility of large and reliable database resources, there are abundantly of opportunities to discover drugs by drug repurposing in an efficient manner.
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