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In inclusion, we optimized the structure of rutin and designed two more hydrophobic analogs, M1 and M2, which match the guideline of five for western medications and demonstrated they (M2 in certain) have much stronger binding affinities to your SARS-COV-2s Mpro than rutin, due to the enhanced hydrophobic communication also more hydrogen bonds. Consequently, our results supply indispensable ideas into the method of a ligand's binding inside the Mpro and shed light on future structure-based de
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