纳米LDH作为藤黄酸吸附和释放载体的试验和分子对接模拟  

Nano-sized LDH as carriers for adsorption and loading of gambogic acid:experimental and molecular docking simulation

作　　者：王姗 刘琦 崔婷婷 张海文 赵柔 彭绪玲 韩晓燕[1] WANG Shan;LIU Qi;CUI Ting-ting;ZHANG Hai-wen;ZHAO Rou;PENG Xu-ling;HAN Xiao-yan(College of Chinese Materia Medica,Tianjin University of Traditional Chinese Medicine,Tianjin 300193)

机构地区：[1]天津中医药大学中药学院,天津300193

出　　处：《中南药学》2024年第5期1194-1200,共7页Central South Pharmacy

基　　金：国家自然科学基金项目(No.81202921)。

摘　　要：目的 以藤黄酸(GA)为模型药物,将GA吸附在层状双金属氢氧化物(LDH)表面从而获得GA-LDH复合物。方法 采用高效液相色谱法(HPLC)测定GA含量,并进行方法学验证。采用共沉淀、离子交换、剥离-重组、胶束载药等方法制备GA-LDH复合物。以载药量和包封率为指标,对载药方法、药载比和不同粒径大小的载体进行单因素考察。采用IR和XRD等对样品结构表征,考察GA-LDH的缓冲及缓释性能;采用分子对接方法计算GA与 LDH之间的结合能大小。结果 确定以离子交换法、药载比为3∶5、水热合成LDH制备GA-LDH复合物的最佳制备工艺。优化后GA-LDH的载药量和包封率分别为21.37%、46.29%。酸碱滴定试验发现GA-LDH具有和LDH相似的缓冲性能。体外释放试验表明,GA-LDH具有一定的缓释效果,释药机制为被动扩散过程。分子对接结果从理论上佐证了GA-LDH复合物的形成。结论 该载药复合物具有良好的载药性能和缓冲性能,有望成为一种新型的中药抗肿瘤成分高效载体。Objective To obtain GA-LDH nanohybrid with the gambogic acid(GA)adsorped to the surface of layered double hydroxides(LDH).Methods A HPLC method for the determination of GA was established and validated.GA-LDH nanohybrid was prepared by co-precipitation,ion exchange,exfoliation recombination and miceller drug loading.The drug loading rate and encapsulation effiency were used as the indexes,the drug-loading process of GA-LDH nanohybrid was determined by single factors,such as drug-loading method,drug/LDH ratio and particle size of LDH.The samples were structurally characterized by IR and XRD.The buffering and sustained release properties of GA-LDH were investigated.The molecular docking method was used to calculate the magnitude of binding energy between GA and LDHs.Results The optimum preparation process of GA-LDH nanohybrid was as follows:ion exchange method,drug loading ratio of 3∶5 and hydrothermal LDH as the carrier.The drug loading rate and encapsulation effiency of GA-LDH were 21.37%and 46.29%under optimized conditions.Acid base titration showed that GA-LDH had similar buffer performance to LDH.In vitro release experiments showed that GA-LDH had a certain sustained-release effect,whose mechanism was a passive diffusion process.The molecular docking method theoretically confirmed the experimental results.Conclusion The drug-loaded complex has good drug-loading and buffering properties,which is expected to be a new type of efficient carrier for antitumour components of traditional Chinese medicine.

关 键 词：层状双金属氢氧化物 藤黄酸 缓释性能 分子对接 

分 类 号：R94[医药卫生—药剂学]