TY - JOUR
T1 - Chemical profiling of Lycium shawii via RP-HPLC-QTOF-MS and MS/MS: Unveiling its in-vivo wound-healing potential supported by molecular docking investigations
AU - Moustafa, Mahmoud
AU - Aboelmaaty, Walaa S.
AU - Ebrahim, Weaam
AU - Mekky, Reham Hassan
AU - Tammam, Mohamed A.
AU - El-Demerdash, Amr
AU - Zaghloul, Ahmed M.
N1 - Data availability: The data presented in this study are available in the present article and the supplementary material.
PY - 2025/9
Y1 - 2025/9
N2 - Lycium shawii Roem. & Schult., traditionally used across arid regions for treating various ailments, was investigated for its wound-healing potential using integrated metabolomic, computational, and in- vivo approaches. Methanolic extract profiling via RP-HPLC-QTOF-MS/MS identified 62 metabolites, including terpenes, fatty acids, and phenolics. Six key compounds were selected for molecular docking and in silico pharmacokinetic/toxicity analysis, showing strong predicted activity and drug-likeness. In vivo evaluation using a rat excision wound model revealed that treatment with a 2 % extract cream significantly enhanced wound closure (88.63 % by day 14), re-epithelialization, collagen deposition, and VEGF expression compared to controls. The findings suggest that L. shawii promotes wound healing through angiogenesis and tissue regeneration mechanisms. This study supports its traditional use and highlights its pharmaceutical potential.
AB - Lycium shawii Roem. & Schult., traditionally used across arid regions for treating various ailments, was investigated for its wound-healing potential using integrated metabolomic, computational, and in- vivo approaches. Methanolic extract profiling via RP-HPLC-QTOF-MS/MS identified 62 metabolites, including terpenes, fatty acids, and phenolics. Six key compounds were selected for molecular docking and in silico pharmacokinetic/toxicity analysis, showing strong predicted activity and drug-likeness. In vivo evaluation using a rat excision wound model revealed that treatment with a 2 % extract cream significantly enhanced wound closure (88.63 % by day 14), re-epithelialization, collagen deposition, and VEGF expression compared to controls. The findings suggest that L. shawii promotes wound healing through angiogenesis and tissue regeneration mechanisms. This study supports its traditional use and highlights its pharmaceutical potential.
KW - Lycium shawii
KW - Molecular docking (MDock)
KW - Pharmacokinetics
KW - Tandem MS/MS
KW - Wound-healing
UR - http://www.scopus.com/inward/record.url?scp=105011370016&partnerID=8YFLogxK
U2 - 10.1016/j.fitote.2025.106749
DO - 10.1016/j.fitote.2025.106749
M3 - Article
SN - 0367-326X
VL - 185
JO - Fitoterapia
JF - Fitoterapia
M1 - 106749
ER -