Exploration of chalcones as 3-chymotrypsin-like protease (3CLpro) inhibitors of SARS-CoV-2 using computational approaches
Thua-Phong Lam, Dac-Nhan Nguyen, Tan Thanh, Thanh‐Dao Tran, Minh-Tri Le, P. Huynh, Duc-Tuan Nguyen, Viet-Hung Tran, Dieu-Thuong Thi Trinh, Phuong Kim Truong, Cam‐Van T. Vo, Khac‐Minh Thai
Topics & Concepts
ChemistryIn silicoProteaseADMEDocking (animal)ChalconeStereochemistryEnzymeLigand (biochemistry)Molecular dynamicsBiochemistryIn vitroComputational chemistryCombinatorial chemistryReceptorGeneNursingMedicineComputational Drug Discovery MethodsSynthesis and biological activitythermodynamics and calorimetric analyses