Medicinal Chemistry

The Potential Inhibitors in Traditional Chinese Medicine for BCR-ABL T315I Mutation of Chronic Myelogenous Leukemia

Abstract

Yali Xiao, Pei-Chun Chang and Jeffrey JP Tsai

Chronic Myelogenous Leukemia (CML) is a myeloproliferative disorder characterized by the appearance of abnormal proliferation of white blood cells in the Philadelphia chromosome. Current drugs target ABL kinase may have resistance or have risks of serious side effects. We performed molecular docking and 2D-QSAR modeling regarding ABL and its mutant T315I to discover the potential candidate compounds for CML treatment. We present four potent TCM compounds, salvianolic acid C, baicalin, 1,4-dicaffeoylquinic acid, and dihydroisotanshinone I as potential candidates as lead drugs from the TCM compounds. It might have the potential to treat Chronic Myelogenous Leukemia with fewer side effects.