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. 2021 Dec 9;26(24):7458. doi: 10.3390/molecules26247458

Table 3.

The binding interactions of the potential pyrimidonic pharmaceuticals/3-chymotrypsin-like protease 3CLpro complexes at different times throughout the production runs.

Pharmaceutical Name 100 ns 150 ns 200 ns
Uracil mustard graphic file with name molecules-26-07458-i033.jpg graphic file with name molecules-26-07458-i034.jpg graphic file with name molecules-26-07458-i035.jpg
Cytarabine graphic file with name molecules-26-07458-i036.jpg graphic file with name molecules-26-07458-i037.jpg graphic file with name molecules-26-07458-i038.jpg
Floxuridine graphic file with name molecules-26-07458-i039.jpg graphic file with name molecules-26-07458-i040.jpg graphic file with name molecules-26-07458-i041.jpg
Trifluridine graphic file with name molecules-26-07458-i042.jpg graphic file with name molecules-26-07458-i043.jpg graphic file with name molecules-26-07458-i044.jpg
Stavudine graphic file with name molecules-26-07458-i045.jpg graphic file with name molecules-26-07458-i046.jpg graphic file with name molecules-26-07458-i047.jpg
Lamivudine graphic file with name molecules-26-07458-i048.jpg graphic file with name molecules-26-07458-i049.jpg graphic file with name molecules-26-07458-i050.jpg
Zalcitabine graphic file with name molecules-26-07458-i051.jpg graphic file with name molecules-26-07458-i052.jpg graphic file with name molecules-26-07458-i053.jpg
Telbivudine graphic file with name molecules-26-07458-i054.jpg graphic file with name molecules-26-07458-i055.jpg graphic file with name molecules-26-07458-i056.jpg
Tipiracil graphic file with name molecules-26-07458-i057.jpg graphic file with name molecules-26-07458-i058.jpg graphic file with name molecules-26-07458-i059.jpg
Citicoline graphic file with name molecules-26-07458-i060.jpg graphic file with name molecules-26-07458-i061.jpg graphic file with name molecules-26-07458-i062.jpg
Uridine triacetate graphic file with name molecules-26-07458-i063.jpg graphic file with name molecules-26-07458-i064.jpg graphic file with name molecules-26-07458-i065.jpg