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This study aims to evaluate the interactions of cinnamon phytochemicals with key cancer signaling pathways through computational methods.

Computational Investigation of Cinnamon Phytochemicals Targeting Key Cancer Signaling Pathways: Molecular Docking, ADMET and Molecular Dynamics Simulations Analysis

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Computational investigation reveals interactions between cinnamon phytochemicals and cancer signaling proteins, suggesting therapeutic potential.

This study aims to evaluate the interactions of cinnamon phytochemicals with key cancer signaling pathways through computational methods.
Consensus molecular docking using AutoDock Vina, Smina, and GNINA targeting PI3K, NF-κB, and mTOR.
100 ns molecular dynamics simulation of the mTOR-p-cymene complex with MM/GBSA binding free-energy analysis.
In vitro assays evaluated the antioxidant and cytotoxic effects of crude cinnamon extract on HCT-116 and HT-29 colorectal cancer cell lines.
Eugenol showed favorable interactions with PI3K, while p-cymene had the lowest docking score with NF-κB.
Cinnamic acid demonstrated a consistent multitarget binding profile across PI3K, NF-κB, and mTOR.
Crude cinnamon extract exhibited antioxidant activity and reduced viability of cancer cells in a concentration-dependent manner.

A 2026 study studied this question.

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View Full Paper

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Computational investigation reveals interactions between cinnamon phytochemicals and cancer signaling proteins, suggesting therapeutic potential.

This study aims to evaluate the interactions of cinnamon phytochemicals with key cancer signaling pathways through computational methods.
Consensus molecular docking using AutoDock Vina, Smina, and GNINA targeting PI3K, NF-κB, and mTOR.
100 ns molecular dynamics simulation of the mTOR-p-cymene complex with MM/GBSA binding free-energy analysis.
In vitro assays evaluated the antioxidant and cytotoxic effects of crude cinnamon extract on HCT-116 and HT-29 colorectal cancer cell lines.
Eugenol showed favorable interactions with PI3K, while p-cymene had the lowest docking score with NF-κB.
Cinnamic acid demonstrated a consistent multitarget binding profile across PI3K, NF-κB, and mTOR.
Crude cinnamon extract exhibited antioxidant activity and reduced viability of cancer cells in a concentration-dependent manner.

A 2026 study studied this question.

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