02172nas a2200253 4500008004100000245012200041210006900163260001800232300000800250490000700258520131600265653001701581653002101598653002101619653002001640653004301660653003001703653002301733100003401756700001501790700001801805700003301823856006201856 2026 eng d00aFifty Selected Phytoconstituents of Datura metel (Indian Thorn Apple) as Anti-Inflammatory Agents: An in silico Study0 aFifty Selected Phytoconstituents of Datura metel Indian Thorn Ap cNovember 2025 a1-80 v183 a

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.

10aDatura metel10aDaturafoliside F10aDaturametelin B.10aDaturametelin F10aHuman Matrix Metalloproteinase 2 And 910aHuman Neutrophil Elastase10aIndian Thorn Apple1 aRagavan, Yashvanthan, Vinjmur1 aBS, Sachin1 aDas, Biswajit1 aNarayanaswamy, Radhakrishnan uhttps://phcogres.com/article/2026/18/1/105530pres20260038