Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods
Alomgir Hossain, Md. Ekhtiar Rahman, Md Siddiqur Rahman, Khondokar Nasirujjaman, Mohammad Nurul Matin, Md Omar Faruqe, Muhammad Fazle Rabbee
Topics & Concepts
Docking (animal)ProteaseComputational biologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Protease inhibitor (pharmacology)Identification (biology)Coronavirus disease 2019 (COVID-19)Traditional medicineChemistryBiologyBiochemistryEnzymeVirologyBotanyMedicineVirusInfectious disease (medical specialty)DiseaseAntiretroviral therapyViral loadNursingPathologyComputational Drug Discovery MethodsDiverse Scientific Research StudiesSARS-CoV-2 and COVID-19 Research