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Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CLpro of 2019-nCoV than monomeric anthocyanins: A structural-relationship activity study with 10 anthocyanins using in-silico approaches

Ibrahim Khalifa, Asad Nawaz, Remah Sobhy, Sami A. Althwab, Hassan Barakat

2020Journal of Molecular Graphics and Modelling38 citationsDOIOpen Access PDF

Topics & Concepts

In silicoDocking (animal)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)CoronavirusChemistryProteaseBiochemistryCysteine proteaseComputational biologyEnzymeDrug discoveryBiologyGeneMedicineInfectious disease (medical specialty)PathologyDiseaseNursingComputational Drug Discovery MethodsPhytochemicals and Antioxidant ActivitiesEssential Oils and Antimicrobial Activity
Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CLpro of 2019-nCoV than monomeric anthocyanins: A structural-relationship activity study with 10 anthocyanins using in-silico approaches | Litcius