In silico investigation of ACE2 and the main protease of SARS-CoV-2 with phytochemicals from Myristica fragrans (Houtt.) for the discovery of a novel COVID-19 drug
Tassanee Ongtanasup, Smith Wanmasae, Siriwan Srisang, Chawan Manaspon, Soiphet Net-anong, Komgrit Eawsakul
Abstract
compounds have potential as effective medicines to combat the COVID-19 pandemic. However, to assess the therapeutic potential of these ligands, additional research is needed, which will use our findings as a foundation.
Topics & Concepts
In silicoProteaseCoronavirusSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)VirologyCoronavirus disease 2019 (COVID-19)Drug discoveryDrugDocking (animal)2019-20 coronavirus outbreakComputational biologyBiologyPharmacologyTraditional medicineMedicineInfectious disease (medical specialty)EnzymeBioinformaticsDiseaseBiochemistryVeterinary medicineGeneOutbreakPathologyPiperaceae Chemical and Biological StudiesDrug-Induced Hepatotoxicity and ProtectionCholinesterase and Neurodegenerative Diseases