A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesis
Youness Moukhliss, Yassine Koubi, Marwa Alaqarbeh, Nada Alsakhen, Samer M. Hamzeh, Hamid Maghat, Abdelouahid Sbai, Mohammed Bouachrıne, Tahar Lakhlifi
Abstract
In the light of the serious diseases attributed to it, there is an urgent and inescapable need to hunt for antiviral medications for Coxsackievirus B3 (CVB3).
Topics & Concepts
ChemistryRetrosynthetic analysisDocking (animal)Molecular dynamicsStereochemistryComputational biologyCombinatorial chemistryComputational chemistryBiologyNursingMedicineTotal synthesisViral Infections and Immunology ResearchRNA and protein synthesis mechanismsinterferon and immune responses