Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulations
Wiparat Hotarat1, Sarunya Phunpee2, Chompoonut Rungnim2, Peter Wolschann3,4, Nawee Kungwan5,6, Uracha Ruktanonchai2, Thanyada Rungrotmongkol7,8,9, Supot Hannongbua1,9
1Center of Excellence in Computational Chemistry (CECC), Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
2National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Pathum Thani 12120, Thailand
3Department of Pharmaceutical Chemistry, University of Vienna, Vienna 1090, Austria
4Institute of Theoretical Chemistry, University of Vienna, Vienna 1090, Austria
5Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200, Thailand
6Research Center on Chemistry for Development of Health Promoting Products from Northern Resources, Chiang Mai University, Chiang Mai 50200, Thailand
7Ph.D. Program in Bioinformatics and Computational Biology, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
8Structural and Computational Biology Research Unit, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
9Molecular Sensory Science Center, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
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Thông tin xuất bản
Journal of Molecular Liquids
Tập 288
110965
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