Clinical and Translational Research
Copyright ©The Author(s) 2024. Published by Baishideng Publishing Group Inc. All rights reserved.
World J Clin Cases. Jun 16, 2024; 12(17): 3105-3122
Published online Jun 16, 2024. doi: 10.12998/wjcc.v12.i17.3105
Unraveling the mechanism of malancao in treating ulcerative colitis: A multi-omics approach
Xing-Long Huang, Lu-Na Wu, Qin Huang, Yue Zhou, Lei Qing, Feng Xiong, Hui-Ping Dong, Tai-Min Zhou, Kai-Li Wang, Jue Liu
Xing-Long Huang, Lu-Na Wu, Qin Huang, Yue Zhou, Feng Xiong, Hui-Ping Dong, Kai-Li Wang, Jue Liu, Hospital of Traditional Chinese Medicine in Qijiang District, Chongqing 401420, China
Xing-Long Huang, Lu-Na Wu, Xing-Long Huang and Lu-Na Wu.
Lei Qing, Qijiang Health Center for Maternal and Child Care, Chongqing 401420, China
Tai-Min Zhou, College of Pharmacy, Guizhou University of Traditional Chinese Medicine, Guiyang 550025, Guizhou Province, China
Co-corresponding authors: Kai-Li Wang and Jue Liu.
Author contributions: Huang XL and Liu J were involved in the study design and implementation, provided material support for obtaining the grant, and supervised the study; Wang KL coordinated and directed the implementation of the experimental validation; Wu LN performed the network analysis and wrote the manuscript; Huang Q, Zhou Y, Qing L, Xiong F, Dong HP and Zhou TM completed some of the experiments and statistical analyses; all authors reviewed and approved the final manuscript.
Supported by The Chongqing Science and Health Joint Chinese Medicine Technology Innovation and Application Development Project, No. 2022MSXM209.
Conflict-of-interest statement: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
Open-Access: This article is an open-access article that was selected by an in-house editor and fully peer-reviewed by external reviewers. It is distributed in accordance with the Creative Commons Attribution NonCommercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited and the use is non-commercial. See: https://creativecommons.org/licenses/by-nc/4.0/.
Corresponding author: Jue Liu, PhD, Lecturer, Hospital of Traditional Chinese Medicine in Qijiang District, No. 69 Huideng Road, Tonghui Street, Qijiang District, Chongqing 401420, China. 30112067@qq.com
Received: February 27, 2024
Revised: April 11, 2024
Accepted: April 23, 2024
Published online: June 16, 2024
Processing time: 98 Days and 6.7 Hours
Abstract
BACKGROUND

Malancao (MLC) is a traditional Chinese medicine with a long history of utilization in treating ulcerative colitis (UC). Nevertheless, the precise molecular mechanisms underlying its efficacy remain elusive. This study leveraged ultra-high-performance liquid chromatography coupled with exactive mass spectrometry (UHPLC-QE-MS), network pharmacology, molecular docking (MD), and gene microarray analysis to discern the bioactive constituents and the potential mechanism of action of MLC in UC management.

AIM

To determine the ingredients related to MLC for treatment of UC using multiple databases to obtain potential targets for fishing.

METHODS

This research employs UHPLC-QE-MS for the identification of bioactive compounds present in MLC plant samples. Furthermore, the study integrates the identified MLC compound-related targets with publicly available databases to elucidate common drug disease targets. Additionally, the R programming language is utilized to predict the central targets and molecular pathways that MLC may impact in the treatment of UC. Finally, MD are conducted using AutoDock Vina software to assess the affinity of bioactive components to the main targets and confirm their therapeutic potential.

RESULTS

Firstly, through a comprehensive analysis of UHPLC-QE-MS data and public database resources, we identified 146 drug-disease cross targets related to 11 bioactive components. The Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis highlighted that common disease drug targets are primarily involved in oxidative stress management, lipid metabolism, atherosclerosis, and other processes. They also affect AGE-RAGE and apoptosis signaling pathways. Secondly, by analyzing the differences in diseases, we identified key research targets. These core targets are related to 11 active substances, including active ingredients such as quercetin and luteolin. Finally, MD analysis revealed the stability of compound-protein binding, particularly between JUN-Luteolin, JUN-Quercetin, HSP90AA1-Wogonin, and HSP90AA1-Rhein. Therefore, this suggests that MLC may help alleviate intestinal inflammation in UC, restore abnormal lipid accumulation, and regulate the expression levels of core proteins in the intestine.

CONCLUSION

The utilization of MLC has demonstrated notable therapeutic efficacy in the management of UC by means of the compound target interaction pathway. The amalgamation of botanical resources, metabolomics, natural products, MD, and gene chip technology presents a propitious methodology for investigating therapeutic targets of herbal medicines and discerning novel bioactive constituents.

Keywords: Malancao, Ulcerative colitis, Mass spectrum, Network pharmacology, Molecular docking

Core Tip: Eleven primary active constituents (nicotinic acid, luteolin, kaempferol, genkwanin, bessisterol, aloe emodin, wogonin, stigmasterol, rhein, quercetin, oroxylin A) and five key genes (AKT1, JUN, HSP90AA1, CASP3, IL6) were identified in malancao (MLC). Furthermore, three principal signaling pathways were determined through enrichment analysis from the Kyoto Encyclopedia of Genes and Genomes, suggesting that MLC exhibits a multi-component, multi-target, and multi-pathway approach in the treatment of ulcerative colitis.