Chitosan (CHS) and chitin (CHT) biopolymers have found many applications in the field of controlled-release drug delivery systems. Herein, molecular dynamics (MD) simulation and binding free energy calculations were used to investigate the potentials of CHS and CHT polymers for the controlled release of follicle-stimulating hormone (FSH). The results indicated that FSH conformation did not change in the presence of CHS and CHT. In addition, FSH-polymer interactions caused stability of the 3₁₀-helix structure of the alpha subunits of FSH (FSHα). Both the biopolymers interacted with the protein mainly through the hydrophobic forces. CHS has more affinity for FSH when compared with CHT. Furthermore, in both systems, the affinity of polymers for FSHα was more than that for beta subunits of FSH (FSHβ). The results suggested that the polysaccharides might improve the controlled-release FSH delivery.

壳聚糖（CHS）和甲壳质（CHT）生物聚合物在控释药物递送系统领域中发现了许多应用。本文中，分子动力学（MD）模拟和结合自由能计算用于研究CHS和CHT聚合物对促卵泡激素（FSH）的控制释放的潜力。结果表明，在CHS和CHT存在下，FSH构象没有改变。此外，FSH与聚合物的相互作用导致3 _10的稳定性。-FSH（FSHα）α亚基的-螺旋结构。两种生物聚合物主要通过疏水力与蛋白质相互作用。与CHT相比，CHS对FSH的亲和力更高。此外，在两个系统中，聚合物对FSHα的亲和力均大于对FSHβ亚基（FSHβ）的亲和力。结果表明，多糖可能会改善控释FSH的传递。