Docking-based virtual screening studies aiming at the covalent inhibition of SARS-CoV-2 MPro by targeting the cysteine 145
Laurent Soulère, Thibaut Barbier, Yves Queneau
Topics & Concepts
Docking (animal)Virtual screeningCovalent bondChemistryCysteineElectrophileCombinatorial chemistryCysteine proteaseStereochemistryResidue (chemistry)BiochemistryPharmacophoreEnzymeCatalysisMedicineOrganic chemistryNursingClick Chemistry and ApplicationsComputational Drug Discovery MethodsSynthesis and biological activity