科研之友
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摘要
The present study aims to predict drug-drug interaction between rivaroxaban derivatives and propofol which is an important anaesthetic drug using molecular docking method. Chemdraw software was employed to draw the chemical structures of rivaroxaban derivatives SA, RA, SB, and RB, and homology modeling was employed to construct the binding cavity of propofol in UGT1A9. Autodock version 4.2 was used to get the best insight for the binding of ligands and protein. The scoring values indicated the stronger binding ability of RA and RB than SA and SB, which was attributed to the formation of more hydrogen bonds of RA and RB towards the binding site of propofol in UGT1A9. In conclusion, molecular docking method was used in this study to indicate the drug-drug interaction between rivaroxaban derivatives and propofol. This study furtherly broadens the drug-drug interaction database with propofol, which will benefit the guidance of propofol and relevant drugs utilization.
