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Updated: Mar 10, 2026
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Transport Properties of Ibuprofen Encapsulated in Cyclodextrin Nanosponge Hydrogels: A Proton HR-MAS NMR Spectroscopy Study
Published on: August 15, 2016
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Research Advances in Molecular Modeling in Cyclodextrins
Qianqian Zhao, Weixiang Zhang, Runmiao Wang
1State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China.
Current Pharmaceutical Design
|December 9, 2016
Summary
This review maps molecular modeling research in cyclodextrins (CDs), revealing key themes like beta-cyclodextrin, molecular dynamics, and solubility. It highlights China
Area of Science:
- Pharmaceutical Sciences
- Computational Chemistry
- Materials Science
Background:
- Cyclodextrins (CDs) are crucial pharmaceutical excipients widely used in drug delivery.
- Molecular modeling studies have significantly advanced understanding of CD systems' structural, dynamic, and energetic properties.
- A comprehensive analysis of research outputs in molecular modeling of CDs is warranted.
Purpose of the Study:
- To conduct a qualitative and quantitative analysis of research outputs on molecular modeling in cyclodextrins.
- To map the scientific landscape and identify key trends and collaborations in CD molecular modeling research.
- To provide a macro-perspective on the intellectual structure of this research field.
Main Methods:
- Utilized scientific knowledge mapping tools (CiteSpace, VOSviewer, etc.) for literature analysis.
- Collected data from Web of Science to identify publication trends and collaboration patterns.
- Employed visualization techniques to analyze knowledge structure and research frontiers.
Main Results:
- China leads in publication volume, while the USA excels in high-quality research output.
- Stronger international collaboration exists between the USA and Europe compared to Asia.
- Key research clusters include beta-cyclodextrin, docking calculations, molecular dynamics, structural properties, solubility, chiral recognition, and solid-state inclusion complexes.
Conclusions:
- The review offers a macro-perspective and intellectual landscape of molecular modeling in cyclodextrins.
- Identified dominant CD molecules, modeling tools, and hot research fields.
- Traced research frontier shifts over the past three decades through keyword burst analysis.
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