Deciphering synergistic interactions between Curcumin, Piperine, and milk proteins using accurate theoretical methods

Area of Science:

• Biochemistry
• Computational Chemistry
• Traditional Medicine

Background:

• Siddha medicine utilizes turmeric and pepper with milk proteins for cold and throat ailments.
• Curcumin (turmeric) and Piperine (pepper) are key bioactive compounds.
• Understanding their interaction with milk proteins can validate traditional practices.

Purpose of the Study:

• To investigate the molecular interactions between curcumin, piperine, and milk proteins (BSA, Lactaglobulin, Lactalbumin).
• To elucidate the mechanism behind the synergistic efficacy of this traditional formulation.
• To computationally predict allosteric regulation effects.

Main Methods:

• Density Functional Theory (DFT) calculations.
• Molecular Docking simulations.
• Analysis of Curcumin-Piperine (CP) complex formation and binding.

Main Results:

• Confirmed the formation of a Curcumin-Piperine (CP) complex.
• Demonstrated the binding of the CP complex with key milk proteins.
• Identified allosteric sites and regulation effects of CP on milk proteins.
• Revealed increased bioactivity of the CP complex.

Conclusions:

• The study provides a molecular basis for the synergistic efficacy of the turmeric-pepper-milk formulation.
• Computational findings support the traditional use of this remedy.
• Enhanced bioactivity of the complex suggests potential therapeutic applications.