Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacology
Dipta Dey, Rajib Hossain, Partha Biswas, Priyanka Paul, Md. Aminul Islam, Tanzila Ismail Ema, Bibhuti Kumar Gain, Mohammad Mehedi Hasan, Shabana Bibi, Muhammad Torequl Islam, Md. Ataur Rahman, Bonglee Kim
Topics & Concepts
AmentoflavoneIn silicoProteaseDocking (animal)Computational biologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)PolyproteinsCoronavirus disease 2019 (COVID-19)BiologyChemistryVirologyPharmacologyBiochemistryEnzymeMedicineInfectious disease (medical specialty)DiseaseGenePathologyNursingBiological Activity of Diterpenoids and BiflavonoidsAndrographolide Research and ApplicationsComputational Drug Discovery Methods