Alkamides and Piperamides as Potential Antivirals against the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)
Juan Manuel Gutierrez-Villagomez, Tonatiu Campos-García, Jorge Molina‐Torres, Mercedes G. López, Juan Vázquez-Martínez
Abstract
species have a high binding affinity and potential antiviral activity against SARS-CoV-2. The absorption, distribution, metabolism, and excretion (ADME) profile and Lipinski's rule of five showed that dimeric piperamides have druglikeness potential. The molecular dynamics results showed that pipercyclobutanamide B forms a complex with Mpro at a similar level of stability than N3-I. Our overall results indicate that alkamides and piperamides, and specifically pipercyclobutanamide B, should be further studied as compounds with SARS-CoV-2 antiviral properties.
Topics & Concepts
ADMELipinski's rule of fiveCoronavirusVirologyProteaseSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Docking (animal)PharmacologyRNA-dependent RNA polymeraseChemistryBiologyCoronavirus disease 2019 (COVID-19)EnzymePolymeraseMedicineDrugBiochemistryGeneInfectious disease (medical specialty)In silicoNursingPathologyDiseasePiperaceae Chemical and Biological StudiesComputational Drug Discovery MethodsEssential Oils and Antimicrobial Activity