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Using molecular docking analysis to discovery Dregea sinensis Hemsl. potential mechanism of anticancer, antidepression, and immunoregulation
| Content Provider | Scilit |
|---|---|
| Author | Dai, Rongji Liu, Xiujie Shi, Yu Deng, Yulin |
| Copyright Year | 2017 |
| Abstract | Background: Dregea sinensis Hemsl. plant of the genus Dregea volubilis (Asclepiadaceae), plays a vital role in anticancer, antidepression, and immunoregulation. Steroidal glycosides are the main constituents of this herb, which were significant biological active ingredients. Objective: The objective of this study is to recognize the mechanism of anticancer, antidepression, and immunoregulation of D. sinensis Hemsl. Materials and Methods: Seventy-two steroidal glycosides of D. sinensis Hemsl. were evaluated on the docking behavior of tumor-associated proteins (PI3K, Akt, mTOR), depression-related proteins (MAO-A, MAO-B) and immune-related proteins (tumor necrosis factor-α [TNF-α], tumor necrosis factor receptor 2 [TNFR2], interleukin-2Rα [IL-2Rα]) using Discovery Studio version 3.1 (Accelrys, San Diego, USA). Results: The molecular docking analysis revealed that mostly steroidal glycosides of D. sinensis Hemsl. exhibited powerful interaction with the depression-related protein (MAO-A) and the immune-related proteins (TNFR2, IL-2Rα). Some ligands exhibited high binding energy for the tumor-associated proteins (PI3K, Akt, mTOR) and the immune-related protein (TNF-α), but MAO-B showed none interaction with the ligands. Conclusion: This study has paved better understanding of steroidal glycosides from D. sinensis Hemsl. as potential constituents to the prevention of associated cancer, depression and disorders of immunoregulation. Abbreviations used: PI3K: Phosphatidyl inositol 3-kinase; Akt: Protein kinase B; mTOR: Mammalian target of rapamycin; MAO-A: Monoamine oxidase A; MAO-B: Monoamine oxidase B; TNF-α: Tumor necrosis factor α; TNFR2: Tumor necrosis factor receptor 2; IL-2Rα: The alpha subunit (CD25) of the interleukin-2 receptor; DS: Discovery Studio; PDB: Protein Database Bank; 3D: three-dimensional. |
| Related Links | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5551350/pdf http://www.phcog.com/article.asp?issn=0973-1296;year=2017;volume=13;issue=51;spage=358;epage=362;aulast=Liu;type=2 |
| Ending Page | 362 |
| Page Count | 5 |
| Starting Page | 358 |
| File Format | XHTML |
| ISSN | 09731296 |
| e-ISSN | 09764062 |
| DOI | 10.4103/pm.pm_384_16 |
| Journal | Pharmacognosy Magazine |
| Issue Number | 51 |
| Volume Number | 13 |
| Language | English |
| Publisher | Medknow |
| Access Restriction | Open |
| Subject Keyword | Integrative and Complementary Medicine Anticancer Antidepression D. Sinensis Hemsl. Immunoregulation Steroidal Glycosides Pharmacognosy Magazine, Volume 13, Issue 51 |
| Content Type | Text |
| Resource Type | Article |
| Subject | Drug Discovery Pharmaceutical Science |
