title: Inclusion complex of GA-13316 with β-cyclodextrin: preparation, characterization, molecular modeling, and in vitro evaluation.
abstract: The inclusion complex of GA-13316 with β-cyclodextrin (β-CD) is one of a unique series of gibberellin derivatives possessed of potential anticancer activities. The complex with β-CD was characterized by means of UV, XRD, DSC, TG, (1)H, and 2D NMR spectroscopy. In addition, we investigated the main aspects of the interaction between GA-13316 and β-CD using both experimental and molecular modeling approaches. The complex still maintained its anticancer activity, as shown by in vitro cell survival assay on the human colon carcinoma cell line (HCT116) and the human lung cancer cell line (H460). The results showed that the use of β-CD could be obviously improved the water solubility and stability of GA-13316, implying that the inclusion complex could be a promising future therapeutic agent.
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China; Faculty of Science, Kunming University of Science and Technology, Kunming 650093, PR China.
authors.forename: Rui
authors.initials: R
authors.lastname: Yang
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China.
authors.forename: Jing-Bo
authors.initials: JB
authors.lastname: Chen
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China.
authors.forename: Chuan-Fan
authors.initials: CF
authors.lastname: Xiao
authors.affiliation: Faculty of Science, Kunming University of Science and Technology, Kunming 650093, PR China.
authors.forename: Zhi-Cheng
authors.initials: ZC
authors.lastname: Liu
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China.
authors.forename: Zhan-Yong
authors.initials: ZY
authors.lastname: Gao
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China.
authors.forename: Sheng-Jiao
authors.initials: SJ
authors.lastname: Yan
authors.affiliation: Faculty of Science, Kunming University of Science and Technology, Kunming 650093, PR China. Electronic address: zhjihong2000@yahoo.com.cn.
authors.forename: Ji-Hong
authors.initials: JH
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China. Electronic address: zhanghb@ynu.edu.cn.
authors.forename: Hong-Bin
authors.initials: HB
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, PR China. Electronic address: linjun@ynu.edu.cn.
authors.forename: Jun
authors.initials: J
authors.lastname: Lin
mesh_terms: D000970:Antineoplastic Agents / Q000008:administration & dosage* / Q000737:chemistry* / Q000494:pharmacology; D045744:Cell Line, Tumor; D003110:Colonic Neoplasms / Q000188:drug therapy; D005875:Gibberellins / Q000008:administration & dosage* / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D008175:Lung Neoplasms / Q000188:drug therapy; D009682:Magnetic Resonance Spectroscopy; D062105:Molecular Docking Simulation; D012995:Solubility; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D000970:Antineoplastic Agents; D005875:Gibberellins; D047392:beta-Cyclodextrins; C007842:gibberellic acid; C031215:betadex
keywords: Anticancer; GA-13316; Inclusion complex; Molecular modeling; β-Cyclodextrin