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The aim of this study was to enhance the dissolution rate and oral bioavailability of probucol. Probucol was adsorbed onto aerosils via supercritical carbon dioxide (ScCO2) and the physicochemistry properties of probucol-aerosil powder were evaluated by differential scanning calorimetry, X-ray diffraction, infrared spectroscopy and scanning electron microscopy. Tablets of the probucol-aerosil powder were prepared by direct compression method. In the dissolution test, the probucol-aerosil tablets showed a significant enhanced dissolution rate compared with commercial tablets. Bioavailability study was carried out in beagle dogs. Probucol-aerosil tablets exhibited higher AUC and Cmax than commercial tablets. The improved dissolution and bioavailability of probucol-aerosil tablets were attributed to the amorphous state and good dispersion of probucol. It is a feasible method to enhance the oral bioavailability by adsorbing probucol onto aerosils via ScCO2.

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Molecular docking technology was employed to predict and exploit potential main protein inhibitors of novel coronavirus ribonucleic acid dependent ribonucleic acid polymerase by virtual screening of twenty hundred thousand natural molecules in ZINC database. By targeting main protease of novel coronavirus by Schrodinger Maestro software and molecular dynamic simulation, the affinity and stability of the complex formed between the compound and the main protease of novel coronavirus were carefully analyzed. Base on high-throughput virtual screening, twelve compounds with higher molecular docking score were selected from twenty hundred thousand compounds database, compound ZINC000096222420 has the highest docking score of -8.693. The results from molecular dynamic simulation and binding free energy calculation reveal that the structure of the complex is highly stable, which has high potential to accelerate the development of anti-severe acute respiratory syndrome coronavirus 2 drugs.