姜黄素环糊精分子包合物的构建、优化及计算机模拟.docVIP

姜黄素环糊精分子包合物的构建和优化 李艺1，梅虎2，赵春景3，王红1，罗文3，张景勍1* （重庆医科大学药物高校工程研究中心重庆400016重庆医科大学附属第二医院药剂科重庆400010） CCIC）。采用研磨法制备CCIC，显微观察法、差示量热扫描法、红外光谱法验证包合物的形成。以溶解度为评价指标，通过正交设计优化CCIC的制备工艺。用计算机进行CCIC的分子结构模拟。结果表明：CCIC最优制备工艺为包合投料比为1：1，研磨温度为40℃，包合时间为1.5h。最优化处方工艺下姜黄素溶解度较游离药物提高了3.82×104倍。分子模拟结果显示分子包合可降低包合系统能量。因此，可成功构建、优化和计算机模拟CCIC，其溶解度较CCN大大提高。 关键词： 姜黄素；分子包合物；构建；优化 中图分类号：Q556 R392-33文章标志码：A 文章编号： rocess optimization of curcumin-cyclodextrin inclusion complexes Li Yi1, Mei Hu2, Zhao Chunjing3, Wang Hong1, Luo Wen3, Zhang Jingqing1 (1Medicine Engineering Research Center, Chongqing Medical University, Chongqing 400016, China; 2 College of Bioengineering, Chongqing University, Chongqing 400023, China; 3Second Affiliated Hospital, Chongqing Medical University, Chongqing 400010, China) Abstract: In order to improve the water solubility of curcumin (CCN), curcumin-cyclodextrin inclusion complexes (CCIC) were prepared and the preparing process was optimized. The CCIC was prepared by grinding method. Microscopic observation method, differential scanning calorimetry, and infrared spectroscopy method were used to validate the formation of the CCIC. The orthogonal design was used to optimize the preparation process of CCN. Solubility was a evaluation index. The optimal condition of these three effects to prepare CCN were that the inclusion of feed ratio was 1:1, the grinding temperature was 40℃, the inclusion time was 1.5h. The solubility of CCN in inclusion complex prepared by optional condition was (1.72±0.03) mg/mL which increased 3.82×104 times compared with free drug. The process was stable and feasible. The preparation process was repeatable and reasonable. It effectively improved the solubility of CCN in the water. Key words curcumine; preparation process; orthogonal experiment 姜黄素（curcumin, CCN）最早是从植物根茎提炼出来的一种印度香料，作为抗炎草药，具有悠久的使用历史。CCN溶于乙醇、丙酮和氯仿等有机溶剂，几乎不溶于水及乙醚。药理作用广泛，安全有效性高，价格低廉，使其具有广阔的应用前景。但由于CCN的溶解度极低，使其口服吸收不完全，代谢消除迅速，生物利用度低，限制了其应用。药物被环糊精大分子包合后可明显改善药物的理化性质，提高药物的水溶性和稳定性，提高药物的生物利用度以及改变药物在体