School of Chinese Materia Medica, Guangzhou University of Chinese Medicine, Guangzhou 510006, China.
School of Pharmaceutical Sciences, Sun Yat-Sen University, 132 East Circle Road at University City, Guangzhou 510006, China.
Molecules. 2017 Sep 4;22(9):1465. doi: 10.3390/molecules22091465.
(RSF) and (FC) compose a typical herbal synergic pair in traditional Chinese medicine (TCM) for pruritus symptom treatments. The mechanisms of action for the synergy are not understood. This paper aims at predicting the anti-pruritus targets and the main active ingredients for the RSF and FC herbal pair. We demonstrate that the RSF-FC herbal pair can be elucidated by mining the chemical structures of compounds derived from RSF and FC. Based on chemical structure data, the putative targets for RSF and FC were predicted. Additional putative targets that interact with the anti-pruritus targets were derived by mapping the putative targets onto a PPI network. By examining the annotations of these proteins, we conclude that (1) RSF's active compounds are mainly alkaloids and flavonoids. The representative putative targets of the alkaloids are inflammation-related proteins (MAPK14, PTGS2, PTGS2, and F2) and pruritus-related proteins (HRH1, TRPA1, HTR3A, and HTR6). The representative putative targets of the flavonoids are inflammation-related proteins (TNF, NF-κB, F2, PTGS2, and PTGS2) and pruritus-related proteins (NR3C1 and IL2). (2) FC's active compounds are mainly coumarins. Their representative putative targets are CNS-related proteins (AChE and OPRK1) and inflammation-related proteins (PDE4D, TLR9, and NF-κB). (3) Both RSF and FC display anti-inflammatory effects, though they exhibit their anti-pruritus effects in different ways. Their synergy shows that RSF regulates inflammation-related pruritus and FC regulates CNS-related pruritus.
(RSF) 和 (FC) 在传统中药 (TCM) 中是治疗瘙痒症状的典型草药协同对。协同作用的机制尚不清楚。本文旨在预测 RS-FC 草药对的止痒靶点和主要活性成分。我们证明，通过挖掘源自 RS-FC 的化合物的化学结构，可以阐明 RS-FC 草药对。基于化学结构数据，预测了 RS-FC 的假定靶点。通过将假定靶点映射到 PPI 网络上，得出了与止痒靶点相互作用的额外假定靶点。通过检查这些蛋白质的注释，我们得出结论：(1) RS-FC 的活性化合物主要是生物碱和黄酮类化合物。生物碱的代表性假定靶点是炎症相关蛋白（MAPK14、PTGS2、PTGS2 和 F2）和瘙痒相关蛋白（HRH1、TRPA1、HTR3A 和 HTR6）。黄酮类化合物的代表性假定靶点是炎症相关蛋白（TNF、NF-κB、F2、PTGS2 和 PTGS2）和瘙痒相关蛋白（NR3C1 和 IL2）。(2) FC 的活性化合物主要是香豆素。它们的代表性假定靶点是 CNS 相关蛋白（AChE 和 OPRK1）和炎症相关蛋白（PDE4D、TLR9 和 NF-κB）。(3) RS-FC 均具有抗炎作用，尽管它们以不同的方式发挥止痒作用。它们的协同作用表明，RS-FC 调节炎症相关瘙痒，FC 调节 CNS 相关瘙痒。
