Isolation and identification of sesquiterpenes and nitrogen-containing compounds in the water decoction of Curcumae Rhizoma-Sparganii Rhizoma and bioinformatics analysis on their anti-ovarian cancer effect
LI Ming-xia
XU Guan-ling
SUN Meng-yu
ZHANG Feng
MA Jia-mu
YANG Yong-qi
YANG Yu-qing
YING Le-tian
YAO Jian-ling
CAO Yu
SHE Gai-mei
Abstract：Objective:To study the chemical compounds and the mechanism against ovarian cancer of the water decoction of Curcumae Rhizoma-Sparganii Rhizoma.Methods:Chromatographic techniques were used to separate compounds,and their structures were identified using physicochemical and spectral analyses.The genes that are differentially expressed in ovarian cancer patients and normal controls were obtained from the GEO database.Protein-protein interaction network(STRING database,Cytoscape)was constructed to screen core targets.Molecular docking with active ingredients was used to analyze target-ligand binding affinities.Results:19 compounds were isolated and identified as furanocadina-1(10),6,8-triene-4-sulfonic acid(1),Curcolonol(2),Dihydrocurcolone(3),Phacadinane C(4),Zederone(5),Wenyujin K(6),Furanodienone(7),Germacrone(8),Zedoalactone B(9),Zedoarolide B(10),Curcumenol(11),Zedoarondiol(12),cyclo(Pro-Val)(13),cyclo(Ala-Pro)(14),cyclo(Leu-Pro)(15),d-corydaline(16),Tetrahydropalmatine(17),Adenosine(18),Uridine(19),including 12 sesquiterpenes and 7 nitrogen-containing.2239 genes that were differentially expressed was obtained by Bioinformatics analysis.Prostaglandin-endoperoxide synthase 1,progesterone receptor,DNA topoisomerase II Alpha and matrix metallopeptidase 1 were identified as core targets.A strong affinity between the active ingredient and the core target was found.Conclusion:Compounds 1～19 were isolated from water decoction of Curcumae Rhizoma-Sparganii Rhizoma for the first time,and compounds 13～17 were isolated for the first time from Curcumae Rhizoma or Sparganii Rhizoma.Drug pairs may exert anti-ovarian cancer effect through PTGS1,PGR,TOP2A and other targets.
Keywords：Curcumae Rhizoma-Sparganii Rhizomaisolation and identificationnitrogen-containing compoundsovarian cancerbioinformaticsmolecular docking
Publication Date：2025-10-15
Online Publishing Date：2026-08-14(First online date of this platform, not the publication date of the document)
Pages：10( 2099-2108 )