论文部分内容阅读
利用分子对接技术虚拟筛选菊苣与肠道浓度型核苷转运蛋白2(CNT2)结合的化学成分,为探讨菊苣干预嘌呤核苷吸收的降尿酸作用机制研究提供理论依据。采用同源建模手段构建人CNT2三维结构模型,采用Vina软件虚拟筛选菊苣小分子化合物作用于CNT2的化学成分。以CNT2抑制剂7,8,3’-三羟基黄酮的打分为阈值,筛选出23个打分高于阳性抑制剂的菊苣化学成分。其中打分靠前的菊苣化合物是菊苣降尿酸作用的重要化合物,其能否通过抑制CNT2活性干预肠道嘌呤核苷的吸收降低体内尿酸水平有待生物学实验进一步探讨。CNT2可能是菊苣降尿酸的效用靶点,为指导实验研究菊苣干预嘌呤核苷吸收降尿酸研究提供向导。
The chemical composition of chicory binding to intestinal concentration-type nucleoside transport protein 2 (CNT2) was virtually screened by molecular docking, which provided a theoretical basis for the study on the mechanism of uricosuric acid intervention of purine nucleoside by chicory intervention. Homogeneous modeling method was used to construct the three-dimensional structure model of human CNT2. Vina software was used to screen the chemical composition of chicory small molecule compound on CNT2. Based on the scoring of CNT2 inhibitor 7, 8, 3’-trihydroxyflavone, we screened out 31 chicory chemical components with higher scores than the positive inhibitors. The chicory compound with the highest score is an important compound of chicory uric acid lowering effect. Whether it can intervene the absorption of intestinal purine nucleoside by inhibiting the activity of CNT2 and reduce the level of uric acid in vivo remains to be further investigated in biological experiments. CNT2 may be a useful target of chicory reduced uric acid to guide the experimental study of chicory treatment purine nucleoside absorption uric acid reduction provide guidance.