@article {1528, title = {Fifty Selected Phytoconstituents of Datura metel (Indian Thorn Apple) as Anti-Inflammatory Agents: An in silico Study}, journal = {Pharmacognosy Research}, volume = {18}, year = {2026}, month = {November 2025}, pages = {1-8}, type = {Original Article}, chapter = {1}, 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 = {Datura metel, Daturafoliside F, Daturametelin B., Daturametelin F, Human Matrix Metalloproteinase 2 And 9, Human Neutrophil Elastase, Indian Thorn Apple}, doi = {10.5530/pres.20260038}, author = {Yashvanthan Vinjmur Ragavan and Sachin BS and Biswajit Das and Radhakrishnan Narayanaswamy} }