Unlocking the Synergistic Power of Gallic Acid and Resveratrol: A Multi-Target Strategy to Combat Breast Cancer
DOI:
https://doi.org/10.48047/HM.10.2.2024.1856-1878Keywords:
Gallic acid, Molecular docking, Resveratrol, Triple-negative breast cancer (TNBC),, Multi-target therapyAbstract
Background:Triple-negative breast cancer (TNBC), characterized by the absence of estrogen receptor (ER), progesterone receptor (PR), and HER2, is among the most aggressive breast cancer subtypes. Standard treatments like chemotherapy, radiotherapy, and surgery often result in high rates of recurrence and metastasis due to issues like drug resistance, particularly to agents like doxorubicin. This underscores the need for alternative, less toxic therapies. Recently, plant-derived compounds such as gallic acid (GA) and resveratrol have shown potential in targeting multiple cancer pathways.
Objectives:This study aims to explore the synergistic effects of GA and resveratrol by investigating their molecular docking with receptors commonly implicated in TNBC, including HER2, ER, PR, and BRCA1.
Methods:Ligand and receptor preparations were conducted using Autodock PyRx software. Molecular docking analyses were performed to assess binding affinities and interactions with active site residues on these receptors, evaluating the therapeutic potential of the combined GA and resveratrol approach.
Results:Docking results indicated strong binding affinities of GA and resveratrol with HER2, ER, PR, and BRCA1. Key interactions included multiple shared binding residues across these receptors. The compounds exhibited robust binding energies, particularly at HER2’s active site, suggesting potential for pathway inhibition.
Conclusions:This study underscores the promising synergistic potential of GA and resveratrol as a multi-target approach for TNBC. These findings offer an alternative to conventional treatments, potentially reducing reliance on chemotherapy and its associated toxicities, and suggest further research into plant-based integrative treatments.
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Copyright (c) 2024 Hafsa Shafique, Tabinda Imtiaz, Hafiza Ayesha Tahir, Sameen Shahid, Rabia Mezal, Ramsha Javed, Anum Zufiqar, Laraib Fatima (Author)
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