Identification of Pyrazole Derivatives of Usnic Acid as Novel Inhibitor of SARS-CoV-2 Main Protease Through Virtual Screening Approaches
Miah Roney, Gagandeep Singh, AKM Moyeenul Huq, Md Shaekh Forid, Wan Maznah Binti Wan Ishak, Kamal Rullah, Mohd Fadhlizil Fasihi Mohd Aluwi, Saıful Nizam Tajuddin
Topics & Concepts
ProteaseDocking (animal)Virtual screeningSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)PharmacokineticsCoronavirus disease 2019 (COVID-19)Computational biologyVirusPyrazoleChemistryCombinatorial chemistryViral replicationVirologyPharmacologyEnzymeBiologyDrug discoveryBiochemistryStereochemistryMedicineInfectious disease (medical specialty)NursingPathologyDiseaseComputational Drug Discovery MethodsSynthesis and biological activitythermodynamics and calorimetric analyses