title: Inhibitory effect of isothiocyanate derivant targeting AGPS by computer-aid drug design on proliferation of glioma and hepatic carcinoma cells.
abstract: Lipids metabolism was involved in the process of many types of tumor and alkylglycerone phosphate synthase (AGPS) was considered implicated in tumor process. Benzyl isothiocyanate (BITC) showed the inhibitory effect of tumor and AGPS activity, therefore, we screened a group of small molecular compound based on BITC by computer-aid design targeting AGPS and the results showed that the derivants could suppress the proliferation, the expression of tumor related genes such as survivin and Bcl-2, and the level of ether lipids such as lysophosphatidic acid ether (LPAe) and platelet activating factor ether (PAFe); however, the activity of caspase-3/8 was improved in glioma U87MG and hepatic carcinoma HepG2 cells in vitro.
authors.affiliation: Department of Clinical Laboratory, Tianjin Huanhu Hospital, Tianjin 300060, China, Tianjin Key Laboratory of Cerebral Vessels and Neural Degeneration Tianjin 300060, China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Zhu
authors.affiliation: Beijing Honghui Meditech Co. Ltd Beijing 102600, China.
authors.forename: Wen-Ming
authors.initials: WM
authors.lastname: Li
authors.affiliation: Department of Clinical Laboratory, Tianjin Huanhu Hospital, Tianjin 300060, China, Tianjin Key Laboratory of Cerebral Vessels and Neural Degeneration Tianjin 300060, China.
authors.forename: Ling
authors.initials: L
authors.lastname: Zhang
authors.affiliation: Department of Clinical Laboratory, Tianjin Huanhu Hospital, Tianjin 300060, China, Tianjin Key Laboratory of Cerebral Vessels and Neural Degeneration Tianjin 300060, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Xue
authors.affiliation: Departments of Immunology and Biochemistry, School of Basic Medical Sciences, Tianjin Medical University Tianjin 300070, China.
authors.forename: Meng
authors.initials: M
authors.lastname: Zhao
authors.affiliation: Department of Clinical Laboratory, Tianjin Huanhu Hospital, Tianjin 300060, China, Tianjin Key Laboratory of Cerebral Vessels and Neural Degeneration Tianjin 300060, China.
authors.forename: Ping
authors.initials: P
authors.lastname: Yang
mesh_terms: D019883:Alkyl and Aryl Transferases / Q000378:metabolism*; D000970:Antineoplastic Agents / Q000494:pharmacology*; D015153:Blotting, Western; D006528:Carcinoma, Hepatocellular / Q000378:metabolism; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects*; D017076:Computer-Aided Design; D015195:Drug Design; D004797:Enzyme-Linked Immunosorbent Assay; D015870:Gene Expression / Q000187:drug effects; D005910:Glioma / Q000378:metabolism; D056945:Hep G2 Cells; D006801:Humans; D017879:Isothiocyanates / Q000494:pharmacology*; D008113:Liver Neoplasms / Q000378:metabolism; D009369:Neoplasms / Q000378:metabolism*; D060888:Real-Time Polymerase Chain Reaction
chemical_list: D000970:Antineoplastic Agents; D017879:Isothiocyanates; C031403:benzyl isothiocyanate; D019883:Alkyl and Aryl Transferases; C019654:alkylglycerone-phosphate synthase
keywords: Computer-aid drug design; alkylglycerone phosphate synthase; glioma; hepatic carcinoma