Molecular Mechanism Underlying Inclusion Complexation of Curcumin with Short-chain Glucan
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Abstract:
The short-chain glucan obtained via enzymatic hydrolysis of waxy corn starch with the pullulanase is used to encapsulate curcumin to improve greatly water solubility of curcumin. This study uses a novel computer simulation method to analyze the inclusion of curcumin into short-chain dextran, and simulate molecular inclusion behavior of short-chain dextran-curcumin inclusion complex within 600 ns. By means of a self-assembly snapshot taken from the simulated trajectory, the inclusion complexation is achieved through simultaneous dissociation and complexation until a final stable structure is formed. The conformational change of short-chain glucan during its inclusion with curcumin was reflected by the radius of gyration of the system, which was consistent with the snapshot. The solubility of the system is good, and the results obtained by the simulation are basically consistent with the experimental results. The solubility of short-chain dextran-curcumin was higher than that of curcumin alone, thus, inclusion complexation improved the bioavailability of curcumin. Inclusion complexation represents a new approach for developing a suitable wall material for medicines.
