Target prediction, computational identification, and network-based pharmacology of most potential phytoconstituent in medicinal leaves of

Autor: Pankaj, Dagur, Gourav, Rakshit, Murtuja, Sheikh, Abanish, Biswas, Parineeta, Jha, Khattab, Al-Khafaji, Manik, Ghosh
Rok vydání: 2022
Zdroj: Journal of biomolecular structuredynamics.
ISSN: 1538-0254
Popis: The current global epidemic of the novel coronavirus (SARS-CoV-2) has been labeled a global public health emergency since it is causing substantial morbidity and mortality on daily basis. We need to identify an effective medication against SARS-CoV-2 because of its fast dissemination and re-emergence. This research is being carried out as part of a larger strategy to identify the most promising therapeutic targets using protein-protein interactions analysis. Mpro has been identified as one of the most important therapeutic targets. In this study, we did in-silico investigations to identify the target and further molecular docking, ADME, and toxicity prediction were done to assess the potential phyto-active antiviral compounds from
Databáze: OpenAIRE