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?:abstract
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Emergence of severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) infection has given rise to COVID-19 pandemic, that is wreaking havoc worldwide Therefore, there is an urgent need to find out novel drugs to combat SARS-CoV-2 infection In this backdrop, the present study was aimed to assess potent bioactive compounds from different fungas potential inhibitors of SARS-CoV-2 main protease (Msuppro/sup) using an iin-silicoanalysis Nearly 118 bioactive compounds were extracted from iDictyophora indusiata/i, iGeassstrum triplexand iCyathus stercoreus /iand identified using HR LC/MS analysis Of which, only bergenin (iD indusiata/i), quercitrin (iG triplex/i) and dihydroartemisinin (iC stercoreus/i) were selected based on their medicinal uses, binding score and active site covered The 6LU7, a protein crystallographic structure of SARS-CoV-2 Msuppro/sup, was docked with bergenin, quercitrin and dihydroartemisinin using Autodock 4 2 and the binding energies obtained were -7 86, -10 29 and -7 20 kcal/mol, respectively Bergenin, quercitrin and dihydroartemisinin formed hydrogen bond, electrostatic interactions and hydrophobic interactions with foremost active site amino acids THR190, GLU166, GLN189, GLY143, HIS163, HIS164, CYS145 and PHE140 Present investigation suggests that these three drugs may be used as alternative inhibitors against SARS-CoV-2 Msuppro/sup However, further research is necessary to assess iin vitropotential of these drugs To the best of our knowledge, present investigation reported these three bioactive compounds of fungal origin for the first time
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