Binding and occupancy properties of gabapentin in mixed surfactant systems

IF 1.6 4区 工程技术 Q3 CHEMISTRY, APPLIED Journal of Surfactants and Detergents Pub Date : 2023-11-06 DOI:10.1002/jsde.12724
Mukul Kumar, Kavya Khushi, Sandeep Kumar Singh, Debojit Kumar Deb, Javed Masood Khan, Anis Ahmad, Oinam Gobin Singh, Nandini Singh, Anirudh Srivastava
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Abstract

This research highlights the efficacy of mixed micellar systems as an innovative chemical formulation for improving the binding properties of active pharmaceutical drugs. The formulations based on the mole fraction were utilized for preparing mixed micelles with anionic sodium dioctyl sulfosuccinate (AOT) and sodium dodecyl sulphate (SDS). DLS measurements demonstrated the formation of small micelles and mixed micelles in SDS-AOT combinations. A UV absorbance investigation demonstrated the effectiveness of the SDS-AOT mixed micelles for determining the binding constant (Kb) and mean ion occupancy (i0) of the anticonvulsant gabapentin (GBP) drug. Kb values increased, but the occupancy (i) of GBP per micelle decreased by decreasing the mole fraction (α) of SDS from αSDS 0.9 to 0.1, predicting a shift in occupancy of drugs from the Palisade to the Stern layer. To get a better comprehension of micellization behavior and preferential interaction of the drugs under study, molecular docking studies were performed. According to the docking studies, the GBP displayed significant binding in the presence of SDS-AOT when compared to pure SDS and AOT molecules. Ultimately, in pharmaceutical applications, mixed micelle played an important role in enhancing the binding and encapsulation efficiency of drugs.

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加巴喷丁在混合表面活性剂体系中的结合和占据特性
这项研究强调了混合胶束系统作为一种创新化学配方在改善活性药物结合性能方面的功效。研究人员利用基于摩尔分数的配方制备了阴离子琥珀酸二辛酯钠(AOT)和十二烷基硫酸钠(SDS)混合胶束。DLS 测量表明,在 SDS-AOT 组合中形成了小胶束和混合胶束。紫外线吸收率研究表明,SDS-AOT 混合胶束能有效测定抗惊厥药物加巴喷丁(GBP)的结合常数(Kb)和平均离子占有率(i0)。随着 SDS 的摩尔分数 (α)从 αSDS 0.9 降至 0.1,Kb 值增加了,但每个胶束中 GBP 的占据率 (i) 却降低了,这预示着药物占据率从 Palisade 层转移到了 Stern 层。为了更好地理解所研究药物的胶束化行为和优先相互作用,我们进行了分子对接研究。根据对接研究,与纯 SDS 和 AOT 分子相比,GBP 在 SDS-AOT 的存在下显示出显著的结合力。最终,在制药应用中,混合胶束在提高药物的结合和封装效率方面发挥了重要作用。
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来源期刊
Journal of Surfactants and Detergents
Journal of Surfactants and Detergents 工程技术-工程:化工
CiteScore
3.80
自引率
6.20%
发文量
68
审稿时长
4 months
期刊介绍: Journal of Surfactants and Detergents, a journal of the American Oil Chemists’ Society (AOCS) publishes scientific contributions in the surfactants and detergents area. This includes the basic and applied science of petrochemical and oleochemical surfactants, the development and performance of surfactants in all applications, as well as the development and manufacture of detergent ingredients and their formulation into finished products.
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Issue Information Special issue: Industrial surfactants R&D—A tribute to George A. Smith Issue Information Cloning, purification, and functional characterization of recombinant pullulanase from Bacillus cereusATCC 14579 for improved detergent performance Special Issue: Glycolipid biosurfactants: Synthesis, properties, and applications
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