Page 52 - TD-3-1

Tumor Discovery

ORIGINAL RESEARCH ARTICLE
Unveiling the mechanism of Buddleja officinalis

against esophageal squamous cell carcinoma
through network pharmacology and molecular

docking approaches

2,3
Cheng Chang , Zhen-Zhen Yang , Yin-Sen Song , Na Gao , Hao-Zhe Zhang ,
1
2,3
2,3
2
Xiao-Lin Zhang , and Tian-Li Fan *
3
2
1 Department of Medical Nursing, Zhengzhou Urban Construction Vocational College, Zhengzhou,
Henan, China
2 Translational Medicine Research Center, The Fifth Clinical Medical College of Henan University of
Chinese Medicine (Zhengzhou People’s Hospital), Zhengzhou, Henan, China
3 Department of Pharmacology, Basic Medical School of Zhengzhou University, Zhengzhou, Henan,
China
Abstract

In this research, we aim to explore the underlying mechanism of Buddleja
officinalis (BO) in inhibiting esophageal squamous cell carcinoma (ESCC) by
means of network pharmacology and molecular docking approaches. First, BO
component targets were determined from the Traditional Chinese Medicine
Systematic Pharmacology and HERB databases (known as BenCaoZuJian in
Chinese transliteration), and ESCC disease targets were identified from GeneCards
*Corresponding author: and DisGeNET databases. Second, the Venny 2.1 online tool was utilized to
Tian-Li Fan
(fantianli@zzu.edu.cn) visualize the intersection targets, and shared potential targets between BO and
ESCC were identified using the STRING database. Third, the component-target-
Citation: Chang C, Yang Z,
Song Y, et al. Unveiling the pathway networks were constructed using Cytoscape software. Gene Ontology
mechanism of Buddleja officinalis and Kyoto Encyclopedia of Genes and Genomes were utilized for further analyzing
against esophageal squamous the mechanism of BO in inhibiting ESCC. Finally, molecular docking technique
cell carcinoma through network
pharmacology and molecular was employed to delineate the docking profiles of BO and determine the optimal
docking approaches. Tumor Discov. active component, which is threonine protein kinase (AKT1). We screened six
2024;3(1):2312. active components and 227 targets from BO, of which 24 were shared targets of
https://doi.org/10.36922/td.2312
ESCC and BO. The network pharmacology analysis indicated core targets with
Received: November 24, 2023 high degrees, namely, serum albumin, insulin-like growth factor 1 receptor, AKT1,
Accepted: February 27, 2024
Published Online: March 20, 2024 estrogen receptor, and basic fibroblast growth factor receptor 1, which are the
most likely binding sites for the active components in BO. The related signaling
Copyright: © 2024 Author(s). pathways underpinning the inhibition of ESCC by BO encompass MAPK signaling
This is an Open-Access article
distributed under the terms of the pathway, adhesion junction pathway, and gastric cancer pathway. Moreover,
Creative Commons Attribution linarin was recognized as the most suitable component for AKT1. Our results
License, permitting distribution, revealed that BO exhibits multicomponent, multi-target, and multi-pathway
and reproduction in any medium,
provided the original work is characteristics, which offer a scientific foundation for elucidating its therapeutic
properly cited. mechanism in ESCC and present novel insights for future investigations.
Publisher’s Note: AccScience
Publishing remains neutral with Keywords: Network pharmacology; Molecular docking; Buddleja officinalis; Esophageal
regard to jurisdictional claims in
published maps and institutional squamous cell carcinoma; Threonine protein kinase
affiliations.

Volume 3 Issue 1 (2024) 1 https://doi.org/10.36922/td.2312