Frontiers in Pharmacology (Jul 2022)
The potential mechanism of Longsheyangquan Decoction on the treatment of bladder cancer: Systemic network pharmacology and molecular docking
- Zhang Cheng,
- Zhang Cheng,
- Fangdie Ye,
- Fangdie Ye,
- Chenyang Xu,
- Chenyang Xu,
- Yingchun Liang,
- Yingchun Liang,
- Zheyu Zhang,
- Zheyu Zhang,
- Xinan Chen,
- Xinan Chen,
- Xiyu Dai,
- Xiyu Dai,
- Yuxi Ou,
- Yuxi Ou,
- Zezhong Mou,
- Zezhong Mou,
- Weijian Li,
- Weijian Li,
- Yiling Chen,
- Yiling Chen,
- Quan Zhou,
- Quan Zhou,
- Lujia Zou,
- Lujia Zou,
- Shanhua Mao,
- Shanhua Mao,
- Haowen Jiang,
- Haowen Jiang,
- Haowen Jiang
Affiliations
- Zhang Cheng
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Zhang Cheng
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Fangdie Ye
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Fangdie Ye
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Chenyang Xu
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Chenyang Xu
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Yingchun Liang
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Yingchun Liang
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Zheyu Zhang
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Zheyu Zhang
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Xinan Chen
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Xinan Chen
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Xiyu Dai
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Xiyu Dai
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Yuxi Ou
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Yuxi Ou
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Zezhong Mou
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Zezhong Mou
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Weijian Li
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Weijian Li
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Yiling Chen
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Yiling Chen
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Quan Zhou
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Quan Zhou
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Lujia Zou
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Lujia Zou
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Shanhua Mao
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Shanhua Mao
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Haowen Jiang
- Department of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Haowen Jiang
- Fudan Institute of Urology, Huashan Hospital, Fudan University, Shanghai, China
- Haowen Jiang
- National Clinical Research Center for Aging and Medicine, Huashan Hospital, Fudan University, Shanghai, China
- DOI
- https://doi.org/10.3389/fphar.2022.932039
- Journal volume & issue
-
Vol. 13
Abstract
Our goal was to explore the bioactive constituents of Longsheyangquan (LSYQ) Decoction and elucidate its mechanisms on the treatment of bladder cancer (BCa). A total of 38 compounds were selected based on their pharmacokinetic properties in three large traditional Chinese medicine (TCM) databases. 654 putative targets of LSYQ Decoction were predicted using a structure-based, reverse-docking algorithm online, of which 343 overlapped with BCa-related protein-coding genes. The protein-protein interaction (PPI) network was constructed to perform module analysis for further Gene Ontology (GO) annotations and Kyoto Encyclopedia Genes and Genomes (KEGG) pathway enrichment analysis, which identified CDK2, EGFR, MMP9 and PTGS2 as hub targets. The TCM-compound-target network and compound-target-pathway network together revealed that quercetin, diosmetin, enhydrin and luteolin were the main components of LSYQ Decoction. Finally, molecular docking showed the affinity between the key compounds and the hub target proteins to verify the accuracy of drug target prediction in the first place. The present study deciphered the core components and targets of LSYQ Decoction on the treatment of BCa in a comprehensive systemic pharmacological manner.
Keywords
- bladder cancer
- Longsheyangquan Decoction
- target
- network pharmacology
- molecular docking
- traditional Chinese medicine
