Stilbene-based natural compounds as promising drug candidates against COVID-19
Hussain Mustatab Wahedi, Sajjad Ahmad, Sumra Wajid Abbasi
Abstract
testing of stiblenoids, especially resveratrol against the COVID-19. [Formula: see text] Communicated by Ramaswamy H. SarmaHighlightsStilbenoid analogs could be potential disruptors of SARS-CoV-2 spike protein and human ACE2 receptor complex.In particular, resveratrol revealed highly stable conformation to the viral protein: ACE2 receptor complex.The strong interaction of resveratrol is affirmed by molecular dynamic simulation studies and better net free energies.
Topics & Concepts
ResveratrolDocking (animal)ChemistryCoronavirus disease 2019 (COVID-19)DrugIn vivoDrug discoveryCoronavirusPharmacologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)In vitroNatural productCombinatorial chemistryComputational biologyBiochemistryInfectious disease (medical specialty)BiologyMedicineDiseaseBiotechnologyNursingPathologySirtuins and Resveratrol in MedicinePARP inhibition in cancer therapyCalcium signaling and nucleotide metabolism