In Silico Study of Pomegranate (Punica granatum L.) Peel Extract Anti-Aging Activity through MMP-1 and Elastase Inhibition and Microneedle Formulation
Keywords:
Elastase, In Silico, Microneedle, MMP-1, PomegranateAbstract
Premature skin aging can be induced by ultraviolet radiation, which increases the activity of matrix metalloproteinases (MMPs) and elastase, resulting in accelerated degradation of collagen and elastin in the extracellular matrix (ECM). Pomegranate peel exhibits anti-aging potential; however topical delivery is limited by low penetration through the stratum corneum. Therefore, microneedles were developed as an alternative delivery system. This study aimed to evaluate the anti-aging activity of pomegranate peel extract compounds using in silico approach and to assess the physical characteristics of a microneedle formulation containing the extract. Ultrasound-assisted extraction (UAE) was employed to obtain the extract and the compounds were identified by GC–MS. Molecular docking was performed using AutoDock Tools against MMP-1 (PDB ID: 966C) and elastase (PDB ID: 1BRU). ADMET profiling and Lipinski’s rule of five were analyzed using the pkCSM platform. Microneedles were formulated and evaluated for organoleptic properties, homogeneity, needle morphology, folding endurance, pH, average weight, and moisture content. The results showed that three major compounds exhibited strong binding affinity toward MMP-1 and elastase based on binding energy, and inhibition constant. All microneedle formulations (0.5%, 1%, and 2% extract) met quality requirements, with no significant differences in pH, average weight, and moisture content.
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