Characterization of Waste Morus alba Leaf Extracts and Their Binding Affinities Toward the VEGF Receptor
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Morus alba extract##common.commaListSeparator## Antioxidant activity##common.commaListSeparator## Curcumin##common.commaListSeparator## p-Coumaric acid##common.commaListSeparator## Hydroxybenzoic acid##common.commaListSeparator## Wound healing초록
Wound healing is a complex biological process regulated by coordinated cellular and molecular mechanisms, in which angiogenesis plays a pivotal role. Plant-derived bioactive compounds have gained increasing attention as potential therapeutic agents due to their biocompatibility and diverse pharmacological properties. In the present study, aqueous, methanolic, and ethanolic extracts of Morus alba leaves were chemically characterized, and the binding potential of major phytochemicals toward the Vascular Endothelial Growth Factor (VEGF) receptor was evaluated using in silico molecular docking.
Leaf extracts were prepared using soxhlet extraction and analyzed by high-performance liquid chromatography (HPLC). Among 17 reference standards, ethanol extracts exhibited the highest phytochemical diversity, while aqueous extracts contained the fewest components. Apigenin, curcumin, and 4-hydroxybenzoic acid were identified as the predominant constituents in ethanol, methanol, and aqueous extracts, respectively, with trans-p-coumaric acid present as a common major compound across all extracts. Molecular docking analyses were conducted using AutoDock Vina to assess ligand–receptor interactions with the VEGF receptor.
Docking results revealed that trans-p-coumaric acid exhibited the strongest binding affinity toward the VEGF receptor, with a minimum binding energy of −5.9 kcal/mol, followed by curcumin (−5.7 kcal/mol) and hydroxybenzoic acid (−4.7 kcal/mol). Interaction analyses indicated that complex stability was primarily governed by hydrogen bonding and hydrophobic π-interactions within the receptor binding pocket. Comparative evaluation suggested that the planar geometry and favorable interaction profile of trans-p-coumaric acid enabled stable and energetically favorable receptor binding.
Overall, these findings highlight trans-p-coumaric acid as a promising lead compound for VEGF modulation and support the potential of Morus alba leaf-derived phytochemicals as candidates for further experimental validation and wound-healing–oriented drug development.
