Evaluation of Ginsenosides and Their Derivatives From Panax ginseng as Aromatase Inhibitors for Breast Cancer Treatment—An in silico study.
Breast cancer, particularly estrogen receptor‐positive subtypes, is a leading cause of cancer‐related mortality worldwide. Aromatase inhibitors, which target estrogen biosynthesis, are a cornerstone of therapeutic intervention. Panax ginseng, a widely recognized medicinal herb, contains bioactive co...
| Publicado en: | BioMed Research International Vol. 2026; pp. 1 - 17 |
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| Autores principales: | , , , , , , , , |
| Formato: | pictorial research tables/charts Journal Article |
| Publicado: |
Wiley-Blackwell
2/16/2026
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=191615724&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 191615724 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 23146133 FT2T jtl: BioMed Research International issn: 23146133 maglogo: N pubinfo: dt: 2/16/2026 vid: 2026 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 191615724 191615724 191615724 10.1155/bmri/5538317 191615724 ppf: 1 ppct: 16 formats: fmt: – @attributes: type: T – @attributes: type: C – @attributes: type: P tig: atl: Evaluation of Ginsenosides and Their Derivatives From Panax ginseng as Aromatase Inhibitors for Breast Cancer Treatment—An in silico study. aug: au: Madhan, Jayasri Gokila Sekaran, Surya Akshaya, Rajeswari Nambirajan Venkatesan, Khavyanjali Kirupanandasamy, Kavin Vijayakumar, Kiruthika Jenifer, Nancy Paul, Benedict Christopher Tyagi, Abhishek affil: Department of Biotechnology, , Faculty of Biomedical Sciences and Technology, , Sri Ramachandra Institute of Higher Education and Research, , Chennai, India, sriramachandra.edu.in sug: subj: Breast Neoplasms Drug Therapy Glycosides Pharmacodynamics Ginseng Pharmacodynamics Aromatase Inhibitors Pharmacodynamics Neoplasms, Hormone-Dependent Drug Therapy Treatment Outcomes Human Molecular Docking Simulation Molecular Structure Bioinformatics Ligands Biological Availability Hormone Receptor Positive Breast Neoplasms Drug Therapy Public Health ab: Breast cancer, particularly estrogen receptor‐positive subtypes, is a leading cause of cancer‐related mortality worldwide. Aromatase inhibitors, which target estrogen biosynthesis, are a cornerstone of therapeutic intervention. Panax ginseng, a widely recognized medicinal herb, contains bioactive compounds known as ginsenosides, which possess various pharmacological activities, including anticancer properties. This study is aimed at evaluating the potential of ginsenosides and their derivatives from Panax ginseng as aromatase inhibitors for breast cancer treatment through in silico methods. Molecular docking studies were conducted to investigate the binding affinities of ginsenosides to aromatase, a critical enzyme in estrogen biosynthesis. The results indicated that several ginsenosides exhibited strong binding affinities, with Protopanaxadiol demonstrating the highest affinity (−10.0 kcal/mol) and an estimated Ki value of 46.77 nM. Molecular dynamics simulations confirmed the stability of the protopanaxadiol‐aromatase complex, highlighting its consistent binding interactions and minimal structural fluctuations. Pharmacokinetic evaluations suggested that most ginsenosides adhered to drug‐likeness criteria, although certain derivatives showed deviations that may affect bioavailability. However, toxicity predictions revealed a predominantly low toxicity profile, with some concerns related to hepatotoxicity and mutagenicity for specific compounds. The findings from this study highlight the potential of ginsenosides and their derivatives as viable candidates and protopanaxadiol as a promising lead compound for further experimental investigation as aromatase inhibitors, offering a promising alternative or adjunct to conventional breast cancer therapies. pubtype: Academic Journal doctype: pictorial research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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