In Silico Evaluation of Anti-Aging Potential of Centella asiatica L. Urb. Extract via MMP-1 and Elastase Inhibition and Its Microneedle Formulation
Keywords:
Elastase, Herba Pegagan, In Silico, Microneedles, MMP-1Abstract
Ultraviolet radiation accelerates premature skin aging by increasing the production of matrix metalloproteinases (MMPs) and elastase, leading to degradation of the extracellular matrix (ECM). Centella asiatica (L.) Urb. is known to contain bioactive compounds with anti-aging potential; however, conventional topical formulations such as gels and suspensions often show limited skin penetration. This study aimed to identify bioactive compounds from C. asiatica herb extract, evaluate their anti-aging activity through in silico inhibition of MMP-1 and elastase, and analyze the effect of different extract concentrations on the physical characteristics of microneedles (MNs) formulations. The extract was obtained using ultrasonic-assisted extraction (UAE) with 70% ethanol and analyzed by GC–MS. Molecular docking was performed using AutoDock Tools against MMP-1 (PDB ID: 966C) and elastase (PDB ID: 1BRU). Drug-likeness and safety profiles were evaluated using Lipinski’s rule of five and ADMET prediction via pkCSM. MN formulations were prepared with extract concentrations of 1%, 3%, and 5% and evaluated for physical characteristics. The results indicated that 9,12-Octadecadienoic acid (Z,Z)-, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester and 2-Carbamyl-9-[β-D-ribofuranosyl] hypoxanthine showed strong binding affinity toward both enzymes and were predicted to be safe. Higher extract concentrations significantly affected pH, moisture content, and average weight (P<0.05). All MN formulations exhibited folding endurance above 350 cycles. The needle morphology test showed sharp needle tips. Overall, the evaluated parameters results complied with microneedle quality standards.
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