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?:abstract
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The severe acute respiratory syndrome Coronavirus 2 (SARS-CoV-2) is a novel infectious disease that is in rapid growth Several trials are going on worldwide to find a solution for this pandemic The viral replication can be blocked by inhibiting the SARS-CoV-2 spike protein (SARS-CoV-2 Spro), and the SARS-CoV-2 main protease (SARS-CoV-2 Mpro) The binding of potential small molecules to these proteins can possibly inhibit the replication and transcription of the virus The spice molecules that are used in our food have the properties of antiviral, antifungal, and antimicrobial nature As spice molecules are consumed in the diet, hence its antiviral properties against SARS-CoV-2 will benefit in a significant manner Therefore, in this work, the blind molecular docking of 30 selected spice molecules (through ADME property screening) was performed for the identification of potential inhibitors for the Spro and Mpro of SARS-CoV-2 We found that all the molecules bind actively with the SARS-CoV-2 Spro and Mpro However, the molecule, Piperine, is found to have the highest binding affinity among the 30 screened molecules We anticipate immediate wet-laexperiments and clinical trials in support of this computational study might be helpful in inhibiting the SARS-CoV-2 virus
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