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Integrated chemical molecular docking with network...
Journal article

Integrated chemical molecular docking with network pharmacology to study the molecular mechanism of JianPi YiQi BuSui method for treating myasthenia gravis

Abstract

Treatment of myasthenia gravis (MG), a chronic autoimmune neuromuscular disorder, remains challenging due to side effects associated with modern medications which was used to treat the disease. JianPi YiQi BuSui Method (JPYQBSM) is a traditional Chinese medicine (TCM) which has exhibited pivotal MG-alleviating therapeutic benefits. However, JPYQBSM active chemical components, molecular mechanisms and therapeutic targets have not yet been comprehensively investigated, which promptedthis study. The pharmacodynamic basis and action mechanism of JPYQBSM in the treatment of MG were predicted by computer network pharmacological technology and molecular docking technology of chemical composition. JPYQBSM alleviated MG through multi-chemical component, multitarget and multi-pathway synergistic therapeutic effects. This study provides new insights into specific mechanisms underlying JPYQBSM therapeutic effects for alleviating MG.

Authors

Zhang Y; Wang B; Xu P; Lv Z; Zhang D; Lu Q; Lu J; Jiang L; Huang Q; Zhang Y

Journal

Chinese Journal of Analytical Chemistry, Vol. 50, No. 2, pp. 1–12

Publisher

Elsevier

Publication Date

February 1, 2022

DOI

10.1016/j.cjac.2021.09.007

ISSN

1872-2040
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