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甲氧基-β-环糊精包合利培酮的理化性质及分子模拟研究。

Encapsulation of Risperidone by Methylated β-Cyclodextrins: Physicochemical and Molecular Modeling Studies.

机构信息

Department of Pharmacy I, Faculty of Pharmacy, "Victor Babeş" University of Medicine and Pharmacy, 2 Eftimie Murgu Square, 300041 Timisoara, Romania.

Advanced Instrumental Screening Center, Faculty of Pharmacy, "Victor Babes" University of Medicine and Pharmacy, 2 Eftimie Murgu Square, 300041 Timisoara, Romania.

出版信息

Molecules. 2020 Dec 3;25(23):5694. doi: 10.3390/molecules25235694.

DOI:10.3390/molecules25235694
PMID:33287127
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7730204/
Abstract

Risperidone (RSP) is an atypical antipsychotic drug which acts as a potent antagonist of serotonin-2 (5TH2) and dopamine-2 (D2) receptors in the brain; it is used to treat schizophrenia, behavioral and psychological symptoms of dementia and irritability associated with autism. It is a poorly water soluble benzoxazole derivative with high lipophilicity. Supramolecular adducts between drug substance and two methylated β-cyclodextrins, namely heptakis(2,6-di-O-methyl)-β-cyclodextrin (DM-β-CD) and heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin (TM-β-CD) were obtained in order to enhance RSP solubility and improve its biopharmaceutical profile. The inclusion complexes were evaluated by means of thermoanalytical methods (TG-thermogravimetry/DTG-derivative thermogravimetry/HF-heat flow), powder X-ray diffractometry (PXRD), universal-attenuated total reflectance Fourier transform infrared (UATR-FTIR), UV spectroscopy and saturation solubility studies. Job's method was employed for the determination of the stoichiometry of the inclusion complexes, which was found to be 2:1 for both guest-host systems. Molecular modeling studies were carried out for an in-depth characterization of the interaction between drug substance and cyclodextrins (CDs). The physicochemical properties of the supramolecular systems differ from those of RSP, demonstrating the inclusion complex formation between drug and CDs. The RSP solubility was enhanced as a result of drug encapsulation in the CDs cavity, the higher increase being obtained with DM-β-CD as host; the guest-host system RSP/DM-β-CD can thus be a starting point for further research in developing new formulations containing RSP, with enhanced bioavailability.

摘要

利培酮（RSP）是一种非典型抗精神病药物，在大脑中作为 5-羟色胺-2（5TH2）和多巴胺-2（D2）受体的有效拮抗剂；它用于治疗精神分裂症、痴呆的行为和心理症状以及自闭症相关的易怒。它是一种水溶性差的苯并恶唑衍生物，具有高亲脂性。为了提高 RSP 的溶解度并改善其生物制药特性，获得了药物与两种甲基化的β-环糊精（即七（2,6-二-O-甲基）-β-环糊精（DM-β-CD）和七（2,3,6-三-O-甲基）-β-环糊精（TM-β-CD）之间的超分子加合物。通过热分析方法（TG-热重分析/DTG-导数热重分析/HF-热流）、粉末 X 射线衍射（PXRD）、通用衰减全反射傅里叶变换红外（UATR-FTIR）、UV 光谱和饱和溶解度研究对包含物进行了评价。采用 Job 法确定包含物的化学计量比，对于两种主客体体系，其化学计量比均为 2:1。进行了分子建模研究，以深入了解药物与环糊精（CDs）之间的相互作用。超分子体系的物理化学性质不同于 RSP，表明药物与 CDs 之间形成了包含物。RSP 溶解度由于药物被包封在 CDs 腔中而提高，以 DM-β-CD 作为主体时提高得更高；因此，RSP/DM-β-CD 客-主体系可以成为开发含有 RSP 的新配方的起点，以提高生物利用度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f75c/7730204/f1cac3202ac7/molecules-25-05694-g008.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f75c/7730204/f1cac3202ac7/molecules-25-05694-g008.jpg
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