Bioactive Ionic Cocrystals of Sitagliptin: Structural Characterization, Stability Analysis, and Molecular Docking Studies

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2025-04-07 DOI:10.1021/acs.cgd.5c0016110.1021/acs.cgd.5c00161

Chunling Liu, Yijie Ma, Shenshen Du, Xingjun Ou, Junhao Sun, Xiang Lian, Lixing Song* and Fanhong Wu*,

引用次数: 0

Abstract

In this work, ionic cocrystals of sitagliptin, using inorganic salts as coformers, were prepared via mechanochemical and solution chemistry methods. The crystal structures were determined through single-crystal X-ray diffraction analysis, and intermolecular interactions were examined using Hirshfeld surface analysis. Thermal analysis and slurry experiments demonstrated that two ionic cocrystals exhibit excellent thermal and solution stability. Additionally, molecular docking studies provided evidence of the enhanced bioactivity of the ionic cocrystals.

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西他列汀的生物活性离子共晶体：结构表征、稳定性分析和分子对接研究

本研究以无机盐为助熔剂，通过机械化学和溶液化学方法制备了西他列汀的离子共晶体。通过单晶 X 射线衍射分析确定了晶体结构，并利用 Hirshfeld 表面分析研究了分子间的相互作用。热分析和淤浆实验表明，这两种离子共晶体具有出色的热稳定性和溶液稳定性。此外，分子对接研究也证明了离子共晶体具有更强的生物活性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.