Mazlee, Muhammad Taufiq Firdausi and Heidelberg, Thorsten and Ariffin, Azhar and Zain, Sharifuddin Md (2023) Cation-stimulated drug delivery via lipid assembly comprising macrocyclized disaccharides: A DFT study. Carbohydrate Research, 532. ISSN 0008-6215, DOI https://doi.org/10.1016/j.carres.2023.108923.
Full text not available from this repository.Abstract
In the attempt to create a delivery system for an alkali-cation stimulated drug release, a computational study was conducted, aiming for the evaluation of synthetic access towards glycolipid crown ethers analogs and their potential for coordination-induced changes of packing constraints for molecular assemblies. The results disfavor amide-linkages for the creation of macrocycles around the inter-glycosidic bond of a disaccharide. Conformational changes upon cation coordination of the macrocycle decrease the intersection area for easily accessible macrocycles based on lactose. This leads to shrinking intersection areas upon alkali complexation. Maltose-based analogs, on the other hand, exhibited the targeted increase of the glycolipid intersection area and, hence, may be considered as a promising resource.
| Item Type: | Article |
|---|---|
| Funders: | Petronas R&D Sdn [Grant no. PV050-2018], Ministry of Higher Education, Malaysia [Grant no. FRGS/1/2019/STG01/UM/02/21], Universiti Malaya |
| Uncontrolled Keywords: | Glycolipid crown ether; Cation templated macrocycle synthesis; Packing theory; Coordination-induced conformation change |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Department of Chemistry |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 11 Oct 2025 13:19 |
| Last Modified: | 11 Oct 2025 13:19 |
| URI: | http://eprints.um.edu.my/id/eprint/48169 |
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