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December 23, 2025JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIAOpen Access

Molecular Docking of Flavan-3-Ol Compounds from Cocoa Beans Againts Matrix Metalloproteinases (MMPs) as Anti-Photoaging Agents

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Authors

CACindi Dia AnnisaTETristiana ErawatiWSWidji Soeratri

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Overview

Molecular docking reveals cocoa bean flavan-3-ols can inhibit MMPs in skin aging, implying potential for cosmetics.

Key Points

  • This study aims to predict how cocoa bean flavan-3-ols interact with matrix metalloproteinases (MMPs) as inhibitors of photoaging.
  • Molecular docking was performed with flavan-3-ol compounds and MMP enzymes.
  • Compounds included (-)-epicatechin, (+)-catechin, procyanidin B1, B2, and C1.
  • The AutoDock software was used for docking analysis and Biovia Discovery Studio for visualization.
  • All proteins were validated for docking, showing negative docking scores.
  • Procyanidin B2 had the best docking score and lowest inhibition constant for MMP-1 and gelatinase.
  • Cocoa bean flavan-3-ols demonstrated potential to inhibit collagenase, stromelysin, and gelatinase activities.

Cite This Study

Annisa et al. (2025) studied this question.

synapsesocial.com/papers/6949ddb572f746a93d788f76https://doi.org/10.20473/jfiki.v12i32025.312-320
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Effects of 2-year cocoa extract supplementation on inflammaging biomarkers in older US adults: findings from the COcoa Supplement and Multivitamin Outcomes Study randomised clinical trial2025
  2. 2Anti-Skin Aging Potential of Methoxyflavones from Kaempferia parviflora Against TNF-α-Induced Oxidative Stress and Photoaging in Normal Human Dermal Fibroblasts2025
  3. 3Integrative Identification of Anti‐Photoaging Peptides From Stress‐Tolerant Microorganisms via Machine Learning and KEAP1–NRF2 Docking2026
  4. 4Quantum Chemical, Spectroscopic and In Silico (Molecular Docking, Molecular Dynamic and <scp>ADME</scp>) Studies on Anti‐Aging Pentapeptide‐3 (Vialox)2025
  5. 5In-silico Estimation of Flavonoids through Molecular Docking and Assessment of ADMET properties as DPP-IV inhibitor in the treatment of Diabetes Mellitus2025