A network pharmacology-based strategy deciphers the underlying molecular mechanisms of Qixuehe Capsule in the treatment of menstrual disorders

• DOI: 10.1186/s13020-017-0145-x
• Publication Date: 2017-08-21T09:42:39Z
• Authors: Yanqiong Zhang; Xia Mao; Jing Su; Ya Geng; Rui Guo; Shihuan Tang; Junfang Li; Xuefeng Xiao; Haiyu Xu; Hongjun Yang
• Keywords: Menstrual disorders; Other systems of medicine; 0303 health sciences; 03 medical and health sciences; Research; Traditional Chinese Medicine; Chinese herbal formula; Molecular docking simulation; RZ201-999; Network pharmacology; 3. Good health

QiXueHe Capsule (QXHC) is a Chinese patent drug that extensively used for the treatment of menstrual disorders. However, its underlying pharmacological mechanisms have not been fully elucidated. A list QXHC putative targets were predicted using MetaDrug. An interaction network links between and known therapeutic disorders was constructed. candidate also identified via calculating topological feature values nodes in network. Additionally, molecular docking simulation performed to determine binding efficiency compound-putative target pairs. total 1022 311 chemical components containing QXHC. Following calculation features target-known disorder network, 66 identified. Functionally, significantly associated with several biological pathways, such as VEGF Chemokine signaling Alanine/aspartate/glutamate metabolism, Long-term depression T/B cell receptor pathway. Moreover, demonstrated there 20 pairs component-candidate had strong free energy. This novel scientific pharmacology-based study holistically deciphers may be involvement into hemopoiesis, analgesia, nutrients absorption mood regulation, well immune modulation.