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首页> 外文期刊>RSC Advances >Evaluation of the taste-masking effects of (2-hydroxypropyl)-β-cyclodextrin on ranitidine hydrochloride; a combined biosensor, spectroscopic and molecular modelling assessment
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Evaluation of the taste-masking effects of (2-hydroxypropyl)-β-cyclodextrin on ranitidine hydrochloride; a combined biosensor, spectroscopic and molecular modelling assessment

机译：评价（2-羟丙基）-β-环糊精对盐酸雷尼替丁的掩味作用;结合生物传感器，光谱和分子建模评估

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Taste assessment in an increasingly important aspect of formulation development, particularly for paediatric medications. Electronic taste sensing systems have the potential to offer a rapid, objective and safe method of taste assessment prior to the use of more costly human panels or animal models. In this study, the ability of the TS-5000Z taste sensing system to assess the taste masking efficiency of (2-hydroxypropyl)-β-cyclodextrin (HP-β-CyD) complexes with ranitidine hydrochloride was evaluated in order to explore the potential of the biosensor approach as a means of assessing taste masking by inclusion complexation. Nuclear magnetic resonance (NMR) spectroscopy and molecular docking studies were employed to identify and examine the interaction between ranitidine hydrochloride and HP-β-CyD. Taste-masking efficiencies were determined by the Euclidean distance between taste-masked formulations and the pure drug substance on a PCA score plot. The results showed that with increasing molarity of HP-β-CyD in the formulation, the distance from ranitidine hydrochloride increased, thus indicating a significant difference between the taste of the formulation and that of the pure drug. NMR studies also provided strong supporting evidence for the complexation between HP-β-CyD and ranitidine hydrochloride, with the H3′ region of the former identified as the most likely binding site for the drug. Molecular docking studies suggested that the dimethylamino and diamine groups of the drug form direct hydrogen bonds with the hydroxyl oxygen atoms of HP-β-CyD, while the furan ring docks in close proximity to H3′. This study has demonstrated that the biosensor system may provide quantitative data to assess bitterness of inclusion complexes with HP-β-CyD, while spectroscopic and modelling studies may provide a mechanistic explanation for the taste masking process. This in turn suggests that there is a role for biosensor approaches in providing early screening for taste masking using inclusion complexation and that the combination with mechanistic studies may provide insights into the molecular basis of taste and taste masking.
机译：口味评估在配方开发中越来越重要，尤其是在儿科药物方面。电子味觉传感系统有潜力在使用成本更高的人体面板或动物模型之前提供快速，客观和安全的味觉评估方法。在这项研究中，TS-5000Z味觉系统评估具有盐酸雷尼替丁的（2-羟丙基）-β-环糊精（HP-β-CyD）配合物的掩味效率的能力进行了评估，以探索其潜在潜力。生物传感器方法作为通过包合络合评估掩味的手段。核磁共振（NMR）光谱和分子对接研究用于鉴定和检查盐酸雷尼替丁与HP-β-CyD之间的相互作用。掩味效率由掩味制剂与纯药物物质在PCA评分图上的欧式距离确定。结果表明，随着制剂中HP-β-CyD摩尔浓度的增加，与盐酸雷尼替丁的距离增加，从而表明制剂的味道与纯药物的味道之间存在显着差异。 NMR研究也为HP-β-CyD与盐酸雷尼替丁之间的络合提供了有力的支持证据，前者的H3'区被确定为最可能与药物结合的位点。分子对接研究表明，该药物的二甲基氨基和二胺基与HP-β-CyD的羟基氧原子形成直接氢键，而呋喃环则对接在H3'附近。这项研究表明，该生物传感器系统可以提供定量数据，以评估与HP-β-CyD形成的包合物的苦味，而光谱学和模型研究则可以为掩味过程提供机械解释。这反过来暗示了生物传感器方法在利用包合络合物提供早期掩味掩蔽筛选中的作用，并且与机理研究的结合可以提供对掩味和掩味的分子基础的见解。

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