Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease

İsmail Keleş; Alpaslan Bayrakdar

doi:10.17798/bitlisfen.1740835

Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease

Abstract

Radix salviae miltiorrhizae (Danshen) is a perennial herb of the Lamiaceae family, widely used in Traditional Chinese Medicine due to its diverse pharmacological properties. R. salviae is one of the plants with a significant place in Traditional Chinese Medicine due to its pharmacological components. In this context, R. salviae, particularly in China and other Asian countries, has been widely used for centuries in the treatment of disorders such as Parkinson’s disease (PD); however, the active components and mechanisms beneficial in PD treatment remain unclear. The current study aims to explore the active components and molecular mechanisms of R. salviae against PD using network pharmacology and molecular docking analyses. For predicting the specific mechanism of R. salviae in PD treatment, the pharmacological components of the plant were identified using bioinformatics databases. Additionally, PD-related targets were selected using a network pharmacology analysis platform. As a result of the study, 13 key active components and 359 core targets of R. salviae were identified. R. salviae was found to share a common fundamental mechanism associated with PD. In the final stage of the network analysis, 10 potential targets were validated, and molecular docking analyses were performed between the top-scoring targets (AKT1, SRC, STAT3, CASP3, and EGFR) and the 13 components of R. salvia. To further support the docking results, 100 ns molecular dynamics simulations were conducted to evaluate the structural stability and dynamic behavior of the top ligand–target complexes. The results demonstrated that the selected active components of R. salviae may influence key genes in PD-related signaling pathways, thereby potentially contributing to PD treatment. These findings highlight the pharmacological potential of R. salviae in PD and may also guide the development of evidence-based complementary care strategies.

Keywords

Supporting Institution

There is no organization that receives support.

Ethical Statement

The study is complied with research and publication ethics

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Details

Primary Language

English

Subjects

Biophysics, Natural Products and Bioactive Compounds, Biologically Active Molecules, Molecular Medicine

Journal Section

Research Article

Authors

İsmail Keleş
0000-0002-6575-8029
Türkiye

Alpaslan Bayrakdar ^*
0000-0001-7967-2245
Türkiye

Publication Date

December 31, 2025

Submission Date

July 12, 2025

Acceptance Date

November 27, 2025

Published in Issue

Year 2025 Volume: 14 Number: 4

DOI

https://doi.org/10.17798/bitlisfen.1740835

IZ

https://izlik.org/JA75EA43LB

Cite

RIS / Bibtex

APA

Keleş, İ., & Bayrakdar, A. (2025). Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 14(4), 2395-2416. https://doi.org/10.17798/bitlisfen.1740835

AMA

1.Keleş İ, Bayrakdar A. Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2025;14(4):2395-2416. doi:10.17798/bitlisfen.1740835

Chicago

Keleş, İsmail, and Alpaslan Bayrakdar. 2025. “Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease”. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 14 (4): 2395-2416. https://doi.org/10.17798/bitlisfen.1740835.

EndNote

Keleş İ, Bayrakdar A (December 1, 2025) Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 14 4 2395–2416.

IEEE

[1]İ. Keleş and A. Bayrakdar, “Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease”, Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, vol. 14, no. 4, pp. 2395–2416, Dec. 2025, doi: 10.17798/bitlisfen.1740835.

ISNAD

Keleş, İsmail - Bayrakdar, Alpaslan. “Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease”. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 14/4 (December 1, 2025): 2395-2416. https://doi.org/10.17798/bitlisfen.1740835.

JAMA

1.Keleş İ, Bayrakdar A. Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2025;14:2395–2416.

MLA

Keleş, İsmail, and Alpaslan Bayrakdar. “Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease”. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, vol. 14, no. 4, Dec. 2025, pp. 2395-16, doi:10.17798/bitlisfen.1740835.

Vancouver

1.İsmail Keleş, Alpaslan Bayrakdar. Network Pharmacology and Molecular Docking Analysis of Radix Salviae Miltiorrhizae for Potential Therapeutic Targets in Parkinson’s Disease. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2025 Dec. 1;14(4):2395-416. doi:10.17798/bitlisfen.1740835