Malabaricone C for COVID-19
COVID-19 involves the interplay of 350+ viral and host proteins and factors providing many therapeutic targets.
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, Molecular Docking Study of Nutraceuticals from Medicinal Plants against COVID-19 by Targeting PLPRO and RdRp, Zenodo, doi:10.5281/Zenodo.10993336
The SARS-CoV-2 infection continues triggering substantial distress to people since 2019. Many research investigationsconcerning viral pathogenesis regarding the manner in which the virus infects and multiplies within the host have led toconverging conclusions. Numerous studies have additionally demonstrated a strong link between ageing, mildinflammation, metabolic disorders and SARS-CoV-2 illness. According to a modest collection of knowledge, nutraceuticals arecapable of avoiding viral invasion and can reduce inflammation. Consequently, in this current work, we report a moleculardocking analysis for nutraceuticals from diverse plants against SARS-CoV-2 cysteine proteases PLpro (PDB ID: 7CJM) andRNA dependent RNA polymerase (RdRp, PDB ID: 6M71) which play major role in viral replication. The molecular dockingstudies showed that chicoric acid (7CJM : -8.617 Kcal/Mol, 6M71: -6.475) and rosemarinic acid (7CJM : -7.925 Kcal/Mol,6M71 : -8.323 Kcal/Mol) exhibited good docking scores with the selected targets, which were better when compared to that ofreference antiviral drugs Remdesivir and Favipiravir. The majority of the nutraceuticals assessed by Qikprop displayedbeneficial pharmacological characteristics for human administration.
