Open access · Peer reviewed · No APCs
Original ArticlePharmacognosy ResearchVol. 18 | Issue 1 | 2025 | pp. 89–96Open access
Fifty Selected Phytoconstituents of Datura metel (Indian Thorn Apple) as Anti-Inflammatory Agents: An in silico Study
- 1,
- 2,
- 2,
- 2*
- 1 Department of Pharmacology, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences (Deemed to be University), Saveetha University, Thandalam, Chennai, Tamil Nadu, INDIA.
- 2 Department of Biochemistry, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences (Deemed to be University), Saveetha University, Thandalam, Chennai, Tamil Nadu, INDIA.
Published in Pharmacognosy Research
Correspondence: Radhakrishnan Narayanaswamy
Department of Biochemistry, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences (Deemed to be University), Saveetha University, Thandalam, Chennai, Tamil Nadu, INDIA.
Email: kishnanbio07@gmail.com
Copyright: © 2025 Manuscript Technomedia. This is an open access article.
- Published:
- Dec 15, 2025
- Received:
- Jun 2, 2026
- Accepted:
- Oct 15, 2026
How to cite
Ragavan, Y. V., Sachin, B., Das, B., & Narayanaswamy, R. (2025). Fifty Selected Phytoconstituents of Datura metel (Indian Thorn Apple) as Anti-Inflammatory Agents: An in silico Study. Pharmacognosy Research, 18(1), 89–96. https://doi.org/10.5530/pres.20260038
Abstract
Background and Objectives
Datura metel (Indian thorn apple) has been known for various biological activities. In the present investigation, we aimed to study fifty chosen phytoconstituents of D. metel (Indian thorn apple) as potent inhibitory agents of Human Neutrophil Elastase (hNE), Human Matrix Metalloproteinase 2 (hMMP 2) and Human Matrix Metalloproteinase 9 (hMMP 9) using docking approach.
Materials and Methods
The fifty chosen constituents of D. metel (Indian thorn apple) were studied on the docking behaviour of hNE, hMMP 2 and hMMP 9 by using the Swiss dock method.
Results
The docking investigation showed that Daturametelin F, Daturafoliside F and Daturametelin B of D. metel (Indian thorn apple) has exhibited the maximum binding energy (-8.85, -9.56 and -9.53 kcal/mol) with the hNE, hMMP 2 and hMMP 9 respectively.
Conclusion
Thus, the present finding gives new information about the fifty selected ligands of D. metel (Indian thorn apple) as potent inhibitory agents of human neutrophil elastase (hNE), Human Matrix Metalloproteinase 2 (hMMP 2) and Human Matrix Metalloproteinase 9 (hMMP 9), which will help in managing cancer, inflammation, photo-aging and wounds.
Keywords
Subject
Article metadata
| Title | Fifty Selected Phytoconstituents of Datura metel (Indian Thorn Apple) as Anti-Inflammatory Agents: An in silico Study |
|---|---|
| Authors | Yashvanthan Vinjmur Ragavan; BS Sachin; Biswajit Das; Radhakrishnan Narayanaswamy |
| Affiliations | Department of Pharmacology, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences (Deemed to be University), Saveetha University, Thandalam, Chennai, Tamil Nadu, INDIA.; Department of Biochemistry, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences (Deemed to be University), Saveetha University, Thandalam, Chennai, Tamil Nadu, INDIA. |
| Corresponding author | kishnanbio07@gmail.com |
| Journal | Pharmacognosy Research |
| Volume / Issue | Vol. 18, Issue 1 (2025) |
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