Xiong Lingxin, Qi Zeng, Zheng Bingzhen, Li Zhuo, Wang Fang, Liu Jinping, Li Pingya
School of Pharmaceutical Sciences, Jilin University, Fujin Road 1266, Changchun 130021, China.
National and Local Joint Engineering Research Center for Ginseng Innovative Drugs Development, Western Chaoyang Road 45, Changchun 130021, China.
Molecules. 2017 Apr 24;22(4):649. doi: 10.3390/molecules22040649.
Enzymes involved in the coagulation process have received great attention as potential targets for the development of oral anti-coagulants. Among these enzymes, coagulation factor Xa (FXa) has remained the center of attention in the last decade. In this study, 16 ginsenosides and two sapogenins were isolated, identified and quantified. To determine the inhibitory potential on FXa, the chromogenic substrates method was used. The assay suggested that compounds , and were mainly responsible for the anti-coagulant effect. Furthermore, these three compounds also possessed high thrombin selectivity in the thrombin inhibition assay. Furthermore, Glide XP from Schrödinger was employed for molecular docking to clarify the interaction between the bioactive compounds and FXa. Therefore, the chemical and biological results indicate that compounds (ginsenoside Rg2), (ginsenoside Rg3) and (protopanaxtriol, PPT) are potential natural inhibitors against FXa.
参与凝血过程的酶作为口服抗凝剂开发的潜在靶点受到了极大关注。在这些酶中，凝血因子Xa（FXa）在过去十年一直是关注的焦点。在本研究中，分离、鉴定并定量了16种人参皂苷和两种皂苷元。为了确定对FXa的抑制潜力，使用了显色底物法。该测定表明化合物 、 和 主要负责抗凝作用。此外，这三种化合物在凝血酶抑制试验中也具有高凝血酶选择性。此外，采用薛定谔公司的Glide XP进行分子对接，以阐明生物活性化合物与FXa之间的相互作用。因此，化学和生物学结果表明化合物 （人参皂苷Rg2）、 （人参皂苷Rg3）和 （原人参三醇，PPT）是针对FXa的潜在天然抑制剂。
