Comparative study of Danshen and Siwu decoction based on the molecular structures of the components and predicted targets.

ABSTRACT:

Background

The sentence of "Danshen (Salvia Miltiorrhizae Radix et Rhizoma) and Siwu decoction are similar in function" was first recorded in an ancient Chinese medical book "Fu Ren Ming Li Lun". This theory has far-reaching influence on the clinical practice of Chinese medicine and is highly respected by Chinese medical doctors. However, the theory has limitations and controversial part for there is no in-depth and system comparative study.

Methods

We collected the molecular structures of 129 compounds of Danshen and 81 compounds of Siwu decoction from the literatures. MACCS fingerprints and Tanimoto similarity were calculated based on the molecular structures for comparing the structural feature. Molecular descriptors which represent physical and chemical properties were c

SUBMITTER: Li Y 

PROVIDER: S-EPMC7821527 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature