Fitoterapia · 2025
Exploring the anti-inflammatory and wound-healing potential of Baccaurea motleyana fruit: Preliminary insights from GC-MS metabolomic profiling, molecular docking, and ADMET studies.
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Hasan Md Mahmudul, Azme Eva, Ekram Md Ekramul Haque, Momen Md Safayat Hossen, Hossain Mohammed Kamrul, Proma Nawreen Monir
Аннотация
BACKGROUND: Baccaurea motleyana (rambai), a tropical plant, has been praised for its anti-inflammation & wound-healing potentials in traditional medicine in Southeast Asia.
METHODS: B. motleyana fruit methanol extract (BMF-ME) was formulated into ointments at concentrations of 5 % and 10 %. The anti-inflammatory activity was evaluated using a carrageenan-induced paw edema model in rats, while wound healing was assessed through excision, incision, and burn wound models. Molecular docking evaluated the interactions between BMF-ME compounds, identified via GC-MS, and key targets, including COX-2, TGF-β receptor, and IL-1β, in the anti-inflammatory assay.
RESULTS: BMF-ME at a dosage of 400 mg/kg resulted in a 43.77 % reduction in paw edema compared to the control group at the 6-h mark, demonstrating efficacy similar to that of diclofenac. In excision wounds, 10 % BMF-ME ointment resulted in complete contraction by day 16, with epithelialization occurring in an average of 13.33 days compared to 17.5 days in the control group. Tensile strength in incision wounds increased by 43.77 %, while burn wounds demonstrated a 26.58 % enhancement in epithelialization rate. GC-MS analysis revealed oleamide (31.73 %), phytol (10.07 %), and γ-sitosterol (4.29 %) as the primary constituents. Molecular docking demonstrated significant binding affinity of γ-tocopherol (-7.7 kcal/mol) to COX-2 and stigmasterol (-9.1 kcal/mol) to TGF-β, consistent with their anti-inflammatory and collagen-enhancing properties. ADMET profiles of these metabolites demonstrated favorable drug-likeness.
CONCLUSION: BMF-ME enhances wound healing and diminishes inflammation through the synergistic effects of its phytochemicals, thereby corroborating its traditional applications. Further study is required to isolate the bioactive compounds and elucidate their molecular pathways.
METHODS: B. motleyana fruit methanol extract (BMF-ME) was formulated into ointments at concentrations of 5 % and 10 %. The anti-inflammatory activity was evaluated using a carrageenan-induced paw edema model in rats, while wound healing was assessed through excision, incision, and burn wound models. Molecular docking evaluated the interactions between BMF-ME compounds, identified via GC-MS, and key targets, including COX-2, TGF-β receptor, and IL-1β, in the anti-inflammatory assay.
RESULTS: BMF-ME at a dosage of 400 mg/kg resulted in a 43.77 % reduction in paw edema compared to the control group at the 6-h mark, demonstrating efficacy similar to that of diclofenac. In excision wounds, 10 % BMF-ME ointment resulted in complete contraction by day 16, with epithelialization occurring in an average of 13.33 days compared to 17.5 days in the control group. Tensile strength in incision wounds increased by 43.77 %, while burn wounds demonstrated a 26.58 % enhancement in epithelialization rate. GC-MS analysis revealed oleamide (31.73 %), phytol (10.07 %), and γ-sitosterol (4.29 %) as the primary constituents. Molecular docking demonstrated significant binding affinity of γ-tocopherol (-7.7 kcal/mol) to COX-2 and stigmasterol (-9.1 kcal/mol) to TGF-β, consistent with their anti-inflammatory and collagen-enhancing properties. ADMET profiles of these metabolites demonstrated favorable drug-likeness.
CONCLUSION: BMF-ME enhances wound healing and diminishes inflammation through the synergistic effects of its phytochemicals, thereby corroborating its traditional applications. Further study is required to isolate the bioactive compounds and elucidate their molecular pathways.