ArticleInternational journal of molecular sciences2023
Network Pharmacology, Molecular Docking and Molecular Dynamics to Explore the Potential Immunomodulatory Mechanisms of Deer Antler.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 51 papers.
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Who cites it
51 citing papers in PubMed, 82 citations in OpenAlex.
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- Acoustic Cavitation-Induced Unfolding and Solubilization of Velvet Antler Protein for Antioxidant Peptide Release: Substrate Modification Kinetics, Quantum Chemistry, and Keap1/Nrf2-Associated Cellular Responses.Ultrasonics sonochemistry · 2026Article
- Deer antler velvet as a multifunctional natural resource for biomedical and nutraceutical applications.Food science of animal resources · 2026Review
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- Delivery of Multifunctional Microspheres via Intravesical Instillation for Bladder Carcinoma: Therapeutic Potential and Mechanistic Insights.Advanced healthcare materials · 2026Article
- Naringin Alleviates Knee Osteoarthritis by Targeting TNF-α and PTGS2: An Integrated Network Pharmacology, Molecular Simulation, and Experimental Validation Study.International journal of molecular sciences · 2026Article
- Integrated Molecular Docking and Dynamic Simulations Reveal Glycyrrhizic Acid Alleviates Allergic Rhinitis in Rats by Inhibiting the TLR4/NF-κB/IL-1β Pathway.Journal of immunology research · 2026Article
- Exploring the mechanisms underlying quercetin, a key component ofFrontiers in immunology · 2026Article
- Integrative multi-omics analysis prioritizes ALDH2 as a candidate Puerarin-associated target linked to macrophage infiltration in lung adenocarcinoma.Frontiers in immunology · 2026Article
- Bisphenol A exposure in myasthenia gravis: Potential targets and mechanisms revealed by network toxicology and molecular dynamics.PloS one · 2026Article
- In Silico Prediction of Potential pTLR7/pSTING Dual-Targeting Ligands via Virtual Screening and Molecular Dynamics Simulation.International journal of molecular sciences · 2025Article
- In Silico Integrated Systems Biology Analysis of Gut-Derived Metabolites from Philippine Medicinal Plants Against Atopic Dermatitis.International journal of molecular sciences · 2025Article
- Transcriptomic Profiling of Peripheral Blood Identifies Candidate Genes for Early Pregnancy Diagnosis in Sika Deer.Animals : an open access journal from MDPI · 2025Article
- Bioactive Constituents and Antihypertensive Mechanisms of Zhengan Xifeng Decoction: Insights from Plasma UPLC-MS, Network Pharmacology and Molecular Dynamics Simulations.Pharmaceuticals (Basel, Switzerland) · 2025Article
- In Silico Design and Computational Elucidation of Hypothetical Resveratrol-Curcumin Hybrids as Potential Cancer Pathway Modulators.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Gardeniae Fructus Enhances Skin Barrier Function via AHR-Mediated FLG/LOR/IVL Expression.Molecules (Basel, Switzerland) · 2025Article
- [Shared Therapeutic Targets of Obesity and Type 2 Diabetes Mellitus and the Intervention Mechanisms of Chinese Herbal Components].Sichuan da xue xue bao. Yi xue ban = Journal of Sichuan University. Medical science edition · 2025Article
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
Abstract
The use of deer antlers dates back thousands of years in Chinese history. Deer antlers have antitumor, anti-inflammatory, and immunomodulatory properties and can be used in treating neurological diseases. However, only a few studies have reported the immunomodulatory mechanism of deer antler active compounds. Using network pharmacology, molecular docking, and molecular dynamics simulation techniques, we analyzed the underlying mechanism by which deer antlers regulate the immune response. We identified 4 substances and 130 core targets that may play immunomodulatory roles, and the beneficial and non-beneficial effects in the process of immune regulation were analyzed. The targets were enriched in pathways related to cancer, human cytomegalovirus infection, the PI3K-Akt signaling pathway, human T cell leukemia virus 1 infection, and lipids and atherosclerosis. Molecular docking showed that AKT1, MAPK3, and SRC have good binding activity with 17 beta estradiol and estrone. Additionally, the molecular dynamics simulation of the molecular docking result using GROMACS software (version: 2021.2) was performed and we found that the AKT1-estrone complex, 17 beta estradiol-AKT1 complex, estrone-MAPK3 complex, and 17 beta estradiol-MAPK3 complex had relatively good binding stability. Our research sheds light on the immunomodulatory mechanism of deer antlers and provides a theoretical foundation for further exploration of their active compounds.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.