Title of article :
Molecular docking study on the molecular mechanism of rhaponticin for treatment of chronic myelocytic leukemia
Author/Authors :
Liu ، Li-Juan Cancer Center, Weifang Traditional Chinese Medicine Hospital , Zhou ، Chao Cancer Center, Weifang Traditional Chinese Medicine Hospital , Song ، Fu-Cheng - Qingdao University , Zhang ، Sen-Sen Cancer Center, Weifang Traditional Chinese Medicine Hospital , Teng ، Wen-Jing - Shanghai University of Traditional Chinese Medicine , Zhuang ، Jing Cancer Center, Weifang Traditional Chinese Medicine Hospital , Sun ، Chang-Gang Cancer Center, Weifang Traditional Chinese Medicine Hospital , Si ، Hong-Zong - Qingdao University
Abstract :
To study the mechanism of rhaponticin treating chronic myelocytic leukemiathe using molecular docking to analyze the interaction of rhaponticin and genes. We screened the genes associated with chronic myelocytic leukemia as the receptors on the basis of our previous network pharmacology study, and observed the results of molecular docking respectively with rhaponticin by software Surflex-Dock. We got results of molecular docking score and hydrogen bond between rhaponticin and 19 genes associated with chronic myelocytic leukemia. We could infer that JUN (2G01) was the preference receptor for rhaponticin and SRC (SRC), JAK2 (5AEP), MAPK14 (2YIX), FRAP1 (3OAW), MAPK8(3PZE), PARP1 (1U5Y) had high scores. The treatment of rhaponticin for chronic myelocytic leukemia is multiple targets and multiple ways.
Keywords :
Traditional Chinese medicine , Rhaponticin , Genes , Chronic myelocytic leukemia
Journal title :
Traditional Medicine Research
Journal title :
Traditional Medicine Research
