Chebulagic Acid(Chebulagic Acid) - 药物靶点：M2 protein_在研适应症：甲型流感病毒感染_专利_临床

概要

基本信息

药物类型

小分子化药

别名-

靶点

M2 protein

作用方式

抑制剂

作用机制

M2 protein抑制剂(基质蛋白-2抑制剂)

治疗领域

感染呼吸系统疾病

在研适应症

甲型流感病毒感染

非在研适应症-

原研机构

Simon Fraser University

在研机构

Simon Fraser University

非在研机构-

权益机构-

最高研发阶段临床前

首次获批日期-

最高研发阶段(中国)-

特殊审评-

结构/序列

分子式C41H30O27

InChIKeyHGJXAVROWQLCTP-UHFFFAOYSA-N

CAS号23094-71-5

关联

100 项与 Chebulagic Acid 相关的临床结果

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100 项与 Chebulagic Acid 相关的转化医学

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100 项与 Chebulagic Acid 相关的专利（医药）

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385

项与 Chebulagic Acid 相关的文献（医药）

2025-06-01·JOURNAL OF REPRODUCTIVE IMMUNOLOGY

Chebulagic acid inhibits lipopolysaccharide-induced endometritis by regulating mitogen-activated protein kinase/nuclear factor-κB signaling

Article

作者: Zhang, Lanxin ; Dong, Jinzhong ; Gao, Ruifeng ; Li, Zhengyi ; Zhao, Feifan ; Liu, Xinyu ; Yang, Ying ; Zhang, Jianbing ; Gong, Zhiguo

This study investigates the potential protective effects of chebulagic acid (CA) against endometritis and its underlying molecular mechanisms. Network pharmacology analysis identified 19 potential targets of CA related to endometritis, mainly associated with the mitogen-activated protein kinase (MAPK) signaling pathways. Molecular docking analysis further indicated that MAPK14 and MAPK3 are critical targets of CA, suggesting its potential role in modulating inflammatory responses. In vitro experiments demonstrated that CA at concentrations of 12.5, 25, and 50 µg/mL significantly inhibited the secretion of proinflammatory cytokines interleukin (IL)-1β and IL-6 in lipopolysaccharide (LPS)-stimulated bovine endometrial epithelial cells (bEECs), without affecting cell viability. In vivo, CA treatment mitigated uterine inflammation in an LPS-induced mouse model of endometritis by downregulating high-mobility group box protein 1 (HMGB1) expression and inhibiting the phosphorylation of key signaling molecules, including p65, extracellular signal-regulated kinase (ERK), and p38. These findings suggest that CA exerts significant anti-inflammatory effects in endometritis by modulating the MAPK/NF-κB signaling pathway. Given its potential to suppress excessive inflammatory responses, CA may serve as a promising candidate for the development of novel therapeutic strategies for endometritis.

2025-04-09·Anti-Cancer Agents in Medicinal Chemistry

Identification of Active Phytochemicals to Inhibit Signal Transducer and Activator of Transcription 5A (STAT5A) Dimerization for Prostate Cancer Therapy: An In Silico Approach

Article

作者: Manjappa, Arehelli S ; Patki, Shalaka R ; Galatage, Sunil T. ; Mayasa, Vinyas ; Sankaranarayanan, Murugesan ; Salawi, Ahmad ; Disouza, John I ; Muzaffar-Ur-Rehman, Mohammed ; P, Shyam Sundar ; Veerachamy, Alagarsamy

Background::

The Src Homology 2 (SH2) domain, the most conserved region of STAT5a/b (aa 573– 712), is crucial for receptor-specific recruitment and STAT5 dimerization, making it a therapeutic target in prostate cancer (PCa).

Objectives::

This study explored the SH2 domain of STAT5a and carried out the identification of natural STAT5a inhibitors.

Methods::

Using template-based homology modeling, we constructed the structure of human STAT5a (VP1P) and compared it with its 3D crystal of the STAT5a protein obtained from the RCSB database and the model generated by the AlphaFold database. In this study, we carried out molecular docking studies using AutoDock Vina on the top 500 natural compounds identified through a pharmacophore search of the ZINC database using ZINCPharmer. Furthermore, the top ten compounds with the highest binding energies were evaluated for their drug-likeness and ADMET properties using SWISS ADME and ProTox-II, followed by 100 ns molecular dynamics (MD) simulations using the Desmond module of the Schrodinger suite.

Results::

Docking studies revealed Pedunculagin (-10.5 kcal/mol), Folic acid (-10.1 kcal/mol), Chebulinic acid (- 10.0 kcal/mol), Chebulagic acid (-9.8 kcal/mol), and Oleandrin (-9.8 kcal/mol) as the top candidates, compared to the STAT5 inhibitor (Phase-II Clinical Trial) (-8.5 kcal/mol). ADMET analysis confirmed their safety profiles. MD simulations showed stable protein-ligand complexes, with all compounds interacting with the conserved Arg638 residue at the active site, similar to the STAT5 inhibitor.

Conclusion::

Pedunculagin demonstrated the strongest binding energy and stability, making it a promising candidate for further development as a novel lead compound to disrupt STAT5a/b dimerization in PCa therapy.

2025-04-01·JOURNAL OF ETHNOPHARMACOLOGY

Anti Helicobacter pylori activity and gastrointestinal protective effects of Terminalia bellirica: Mechanistic insights from in vitro and in vivo studies

Article

作者: Ou, Ling ; Zhang, Chuqiu ; Feng, Zhong ; Chen, Ye ; Chen, Qingchang ; Chen, Haobo ; Wei, Ruixia ; Lu, Bingyun ; Yao, Meicun ; Zou, Yuanjing ; Peng, Chang

ETHNOPHARMACOLOGICAL RELEVANCE:

Terminalia bellirica (Gaertn.) Roxb. (Combretaceae) (T. bellirica) is a longstanding medicinal plant traditionally referenced in both Indian and Tibetan medical practices. Currently, approximately 50% of the global population is infected with Helicobacter pylori (H. pylori). To curb antibiotic overuse, asymptomatic patients might require alternative therapy to mitigate the intestinal side effects commonly associated with excessive antibiotic usage.

AIM OF THE STUDY:

Preliminary screening conducted by our team revealed that T. bellirica had excellent anti-H. pylori action in vitro. However, further research elucidating the mechanism behind T. bellirica's impact on H. pylori infection and its protective effects against related gastrointestinal diseases is yet to be explored.

MATERIALS AND METHODS:

To assess the specific effect and underlying mechanism, we employed a comprehensive range of methodologies, including UPLC-MS/MS, in vitro and in vivo antibacterial assays, 5R 16S, molecular dynamics simulation and RT-qPCR.

RESULTS:

Phytochemical analysis revealed abundant phenolic contents in T. bellirica, including chebulagic acid, chebulinic acid, corilagin, gallic acid, and ellagic acid. In vitro antibacterial evaluations demonstrated significant efficacy of T. bellirica against H. pylori, with a minimum inhibitory concentration (MIC) of 160 μg/mL, effectively inhibiting critical bacterial defense such as urease, adhesion and gene vacA. In vivo animal experiments showed that in addition to its anti-H. pylori effect, T. bellirica exhibited mild influence on gastric microbiota, with the composition restoring to normal levels after administration.

CONCLUSIONS:

T. bellirica exerts potent anti-H. pylori activity both in vitro and in vivo, indicating its potential as an alternative therapeutic strategy for managing H. pylori infections while exerting minimal impact on gastric microbial balance. Further studies are warranted to elucidate additional pathways involved and to validate its clinical applications.

100 项与 Chebulagic Acid 相关的药物交易

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