Potential Mechanism of Action of Extract Injection Against Cardiovascular Diseases Revealed by Combination of HPLC-Q-TOF-MS, Virtual Screening and Systems Pharmacology Approach

Overview

Journal RSC Adv

Publisher Royal Society of Chemistry

Specialty Chemistry

Date 2022 May 6

PMID 35517561

Authors

Rongfang Xie

Zhenzhen Liu

Zuan Lin

Peiying Shi

Bing Chen

Shaoguang Li

Guangwen Li

Liying Huang

Xinhua Lin

Hong Yao

Affiliations

Soon will be listed here.

Abstract

extract injection, a Chinese medicine preparation named as Kudiezi injection (KDZI) in China, has been widely used for the treatment of cardiovascular diseases (CVDs) in recent years. Owing to the component complexity of the preparation, the study on the effect mechanism of the herbal medicine against CVDs is a big challenge. In this research, HPLC-Q-TOF-MS was used to analyze the constituents of the preparation, disclosing that the KDZI mainly consists of 10 ingredients, namely 3-caffeoylquinic acid (KDZI-1), 4-caffeoylquinic acid (KDZI-2), 5-caffeoylquinic acid (KDZI-3), apigenin-7--β-d-glucuronide (KDZI-4), caffeic acid (KDZI-5), chicoric acid (KDZI-6), caftaric acid (KDZI-7), luteolin-7--β-d-gentiobioside (KDZI-8), luteolin-7--β-d-glucopyranoside (KDZI-9) and luteolin-7--β-d-glucuronide (KDZI-10). Afterwards, target fishing and an integrated systems pharmacology approach combined with molecular docking (Sybyl 1.3 and AutoDock Vina) were adopted to predict the potential targets and pathways for the main ingredients in KDZI. As results, 39 protein targets and 9 KEGG pathways, possessing high relevance to the therapeutic effects of the ingredients of KDZI against CVDs, were screened out reasonably. The integrated pharmacology analysis suggested that KDZI could exert its therapeutic effects against CVDs possibly multi-targets including EGFR, MAPK10, and SRC and multi-pathways referring to MAPK, focal adhesion, complement and coagulation cascades, . This research provides insights into understanding the comprehensive therapeutic effect and mechanism of the KDZI on CVDs.

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