In 2022, colorectal cancer was the second leading cause of cancer-related deaths worldwide, underscoring the need for new chemopreventive and therapeutic alternatives. Curcumin, a dietary molecule, has garnered attentioninterest, and in vitro studies have identified that curcumin can affect for its potential to influence the the cell cycle in colorectal cancer cells. Consequently, this study aimed to explore the molecular interactions between curcumin and key cell cycle proteins to further elucidate its effects on cell cycle regulation. Molecular docking simulations were used to analyze curcumin’s interactions with these proteins. CDK6 demonstrated the highest affinity for curcumin in global docking, with a value of –8.1, while cyclin D1 exhibited the highest affinity in targeted docking, with a value of -9.3. Based on these findings, curcumin could potentially inhibit cyclin D1, CDK4, and CDK6, thereby disrupting the regulation of the CDK4/CDK6 complex and hindering the transition from G1 to S phase in the cell cycle.

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Molecular Interactions Between Curcumin and Cell Cycle Proteins Related with Colorectal Cancer

  • Diego A. Osorio-Mona,
  • Sandra S. Arango-Varela,
  • Jorge A. Lopera-Rodríguez

摘要

In 2022, colorectal cancer was the second leading cause of cancer-related deaths worldwide, underscoring the need for new chemopreventive and therapeutic alternatives. Curcumin, a dietary molecule, has garnered attentioninterest, and in vitro studies have identified that curcumin can affect for its potential to influence the the cell cycle in colorectal cancer cells. Consequently, this study aimed to explore the molecular interactions between curcumin and key cell cycle proteins to further elucidate its effects on cell cycle regulation. Molecular docking simulations were used to analyze curcumin’s interactions with these proteins. CDK6 demonstrated the highest affinity for curcumin in global docking, with a value of –8.1, while cyclin D1 exhibited the highest affinity in targeted docking, with a value of -9.3. Based on these findings, curcumin could potentially inhibit cyclin D1, CDK4, and CDK6, thereby disrupting the regulation of the CDK4/CDK6 complex and hindering the transition from G1 to S phase in the cell cycle.