IDEREACHIDEREACH

Applied Pharmacology and Pharmaceutical TechnologyApplied Pharmacology and Pharmaceutical Technology

Diabetic wound healing is hindered by the interplay of oxidative stress, chronic inflammation, and excessive extracellular matrix degradation, which collectively delay tissue repair. Conventional treatments often address only single pathological pathways, resulting in suboptimal outcomes. This study aimed to evaluate the multitarget potential of rutin, a natural flavonoid, against key proteins implicated in diabetic wound pathology, such as aldose reductase (AKR1B1), cyclooxygenase-2 (COX-2), and matrix metalloproteinase-9 (MMP-9) using molecular docking analysis. The three-dimensional structures of rutin and the target proteins were obtained from the PubChem and Protein Data Bank databases, respectively, and docking simulations were performed using Molegro Virtual Docker 6.0. Rutin exhibited favorable binding affinities toward all targets, with the strongest predicted interaction observed for COX-2 (MolDock score -184.339), followed by AKR1B1 (-169.803) and MMP-9 (-160.330). Hydrogen bond analysis indicated significant contributions to complex stability, particularly for COX-2 and MMP-9. These findings suggest that rutin may modulate oxidative stress, inflammation, and extracellular matrix remodeling simultaneously. Overall, rutin demonstrates promising multitarget potential for diabetic wound healing, warranting further validation through molecular dynamics and experimental studies.

The docking results indicate that rutin is capable of interacting with multiple key proteins involved in diabetic wound pathology.Rutin may simultaneously modulate oxidative stress, inflammation, and extracellular matrix remodeling, supporting its potential as a multitarget agent for improving diabetic wound healing.These findings provide a computational basis for further investigation and the potential development of rutin-based therapeutic strategies.

Penelitian lebih lanjut perlu dilakukan untuk memvalidasi hasil docking ini melalui studi eksperimen, seperti uji inhibisi enzim dan model penyembuhan luka berbasis sel. Mengingat potensi rutin dalam memodulasi beberapa target molekuler sekaligus, studi di masa depan dapat mengeksplorasi efektivitas kombinasi rutin dengan terapi standar untuk penyembuhan luka diabetes. Selain itu, penelitian mengenai formulasi dan pengiriman rutin yang optimal, seperti penggunaan nanopartikel atau sistem pelepasan terkontrol, dapat meningkatkan bioavailabilitas dan efikasinya di lokasi luka. Penelitian lanjutan juga dapat difokuskan pada identifikasi metabolit rutin yang aktif secara in vivo dan kontribusinya terhadap efek terapeutik yang diamati, serta studi tentang efek jangka panjang dan profil keamanan rutin dalam konteks penyembuhan luka diabetes.

  1. Abstract 1171 PODIOMICS: Biomarkers for Prediction, Prognosis and Treatment of (non)Healing Chronic Diabetic... jbc.org/retrieve/pii/S0021925825016540Abstract 1171 PODIOMICS Biomarkers for Prediction Prognosis and Treatment of non Healing Chronic Diabetic jbc retrieve pii S0021925825016540
  2. OR | Aldo-keto reductases: Role in cancer development and theranostics. aldo keto reductases role cancer... doi.org/10.32604/or.2024.049918OR Aldo keto reductases Role in cancer development and theranostics aldo keto reductases role cancer doi 10 32604 or 2024 049918
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