Exploration of P1 and P4 modifications of nirmatrelvir: Design, synthesis, biological evaluation, and X-ray structural studies of SARS-CoV-2 Mpro inhibitors
Arun K. Ghosh, Monika Yadav, Iddum Satyanarayana, Somayeh Ghazi, Emma K. Lendy, Uttara Jayashankar, Sydney N. Beechboard, Yuki Takamatsu, Shin‐ichiro Hattori, Masayuki Aamano, Nobuyo Higashi‐Kuwata, Hiroaki Mitsuya, Andrew D. Mesecar
Topics & Concepts
ChemistryStereochemistryProteaseLigand (biochemistry)LactamEnzymeSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Structure–activity relationshipCombinatorial chemistryIn vitroCoronavirus disease 2019 (COVID-19)BiochemistryReceptorMedicinePathologyDiseaseInfectious disease (medical specialty)Computational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchTuberculosis Research and Epidemiology