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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem. Published online 2009:NA-NA. 10.1002\/jcc.21334.","DOI":"10.1002\/jcc.21334"},{"key":"10.1016\/j.bmcl.2023.129530_b0145","unstructured":"The PyMOL Molecular Graphics System, Version 2.0 Schr\u00f6dinger, LLC."},{"key":"10.1016\/j.bmcl.2023.129530_b0150","unstructured":"The inhibitory activity of the most potent inhibitor 2 against the human cysteine protease Cathepsin K was determined to assess the selectivity. The pyrazolidinone 2 demonstrated only slightly lower activity against the Cathepsin K (IC50 = 64 \u03bcM) compared to Mpro (IC50 = 45 \u03bcM). Therefore, the selectivity against human proteases should be addressed in further research."},{"key":"10.1016\/j.bmcl.2023.129530_b0155","unstructured":"Lineweaver\u2013Burk plot was constructed to determine inhibition type of pyrazolidinone 2. 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