Molecular docking and network connections of active compounds from the classical herbal formula Ding Chuan Tang.

ABSTRACT:

Background

Ding Chuan Tang (DCT), a traditional Chinese herbal formula, has been consistently prescribed for the therapeutic management of wheezing and asthma-related indications since the Song Dynasty (960-1279 AD). This study aimed to identify molecular network pharmacology connections to understand the biological asthma-linked mechanisms of action of DCT and potentially identify novel avenues for asthma drug development.

Methods

Employing molecular docking (AutoDock Vina) and computational analysis (Cytoscape 3.6.0) strategies for DCT compounds permitted examination of docking connections for proteins that were targets of DCT compounds and asthma genes. These identified protein targets were further analyzed to establish and interpret network connections associated with as

SUBMITTER: Clyne A 

PROVIDER: S-EPMC7060917 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature