A Strategy Based on Gene Sequencing and Molecular Docking for Analysis and Prediction of Bioactive Peptides in Shuxuetong Injection

38 Pages Posted: 27 Sep 2021

See all articles by Xinyi Jiao

Xinyi Jiao

Tianjin University of Traditional Chinese Medicine

Yanchao Xing

Tianjin University of Traditional Chinese Medicine

Liuyi Liang

Tianjin University of Traditional Chinese Medicine

Haitao Wang

Tianjin University of Traditional Chinese Medicine

Xin Jin

Tianjin Logistics University of Chinese People’s Armed Police Forces

Xingru Peng

Tianjin University of Traditional Chinese Medicine

Rui Li

Tianjin University of Traditional Chinese Medicine

Rui Liu

Tianjin University of Traditional Chinese Medicine

Lifeng Han

Tianjin University of Traditional Chinese Medicine

Zheng Li

Tianjin University of Traditional Chinese Medicine

Multiple version iconThere are 2 versions of this paper

Date Written: 2021

Abstract

Peptides are a class of protein fragments with relatively high biological activity and intense specificity, which play crucial role in the treatment of Shuxuetong injection (SXT). However, the extraordinary complexity of Chinese medicinal formulates and the lack of systematic identification methods are primary challenges for study of pharmacodynamic peptides . In addition, infinitesimal peptides contents further hinder the identification and structural characterization of polypeptide by traditional means. In this paper, we described a strategy that LC-MS combined with molecular docking to systematically illustrate the peptide components of SXT. The key to this research was use of gene sequencing to establish a SXT protein database to further achieve the separation and enrichment of chemical methods. Moreover, the ADRA2A, PAR4, DRD3 were precisely docked with the identified peptides. The result indicated that 14 compounds had stable binding ability and were speculated to be the latent bioactive monomers for the treatment of stroke. Additionally, 14 peptides were verified by cell-based experiment. The results showed that only YLKTT could indeed protect astrocytes from oxygen glucose deprivation/reoxygenation (OGD/R). The YLKTT showed higher activity than the others in vitro . It might be a completely new compound that has never been reported before, providing the basis for further research and a new paradigm for stroke.

Keywords: peptides, gene sequencing, molecular docking, LC-MS, bioactivity

Suggested Citation

Jiao, Xinyi and Xing, Yanchao and Liang, Liuyi and Wang, Haitao and Jin, Xin and Peng, Xingru and Li, Rui and Liu, Rui and Han, Lifeng and Li, Zheng, A Strategy Based on Gene Sequencing and Molecular Docking for Analysis and Prediction of Bioactive Peptides in Shuxuetong Injection (2021). Available at SSRN: https://ssrn.com/abstract=3931613 or http://dx.doi.org/10.2139/ssrn.3931613

Xinyi Jiao

Tianjin University of Traditional Chinese Medicine ( email )

Tianjin
China

Yanchao Xing

Tianjin University of Traditional Chinese Medicine ( email )

Tianjin
China

Liuyi Liang

Tianjin University of Traditional Chinese Medicine

Tianjin
China

Haitao Wang

Tianjin University of Traditional Chinese Medicine

Tianjin
China

Xin Jin

Tianjin Logistics University of Chinese People’s Armed Police Forces

China

Xingru Peng

Tianjin University of Traditional Chinese Medicine ( email )

Tianjin
China

Rui Li

Tianjin University of Traditional Chinese Medicine

Tianjin
China

Rui Liu (Contact Author)

Tianjin University of Traditional Chinese Medicine ( email )

Tianjin
China

Lifeng Han

Tianjin University of Traditional Chinese Medicine ( email )

Tianjin
China

Zheng Li

Tianjin University of Traditional Chinese Medicine ( email )

Tianjin
China

Do you have a job opening that you would like to promote on SSRN?

Paper statistics

Downloads
29
Abstract Views
273
PlumX Metrics