抗肿瘤研究。第1部分：作为一类新型抗肿瘤药物的2-脱氧-2-苯基-5-脱氮黄素和2-脱氧-2-苯基黄素-5-氧化物的设计、合成、抗肿瘤活性及自动对接研究。
Antitumor studies. Part 1: design, synthesis, antitumor activity, and AutoDock study of 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides as a new class of antitumor agents.
作者信息
Ali Hamed I, Tomita Keiichiro, Akaho Eiichi, Kambara Hiroto, Miura Shinji, Hayakawa Hiroyuki, Ashida Noriyuki, Kawashima Yutaka, Yamagishi Takehiro, Ikeya Hisao, Yoneda Fumio, Nagamatsu Tomohisa
机构信息
Division of Pharmaceutical Sciences, Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, Okayama University 1-1-1, Tsushima-naka, Okayama 700-8530, Japan.
出版信息
Bioorg Med Chem. 2007 Jan 1;15(1):242-56. doi: 10.1016/j.bmc.2006.09.063. Epub 2006 Sep 30.
Novel 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides were prepared as a new class of antitumor agents and showed significant antitumor activities against NCI-H 460, HCT 116, A 431, CCRF-HSB-2, andKB cell lines. In vivo investigation, 2-deoxo-10-methyl-2-phenyl-5-deazaflavin exhibited the effective antitumor activity against A 431 human adenocarcinoma cells transplanted subcutaneously into nude mouse. Furthermore, AutoDock study has been done by binding of the flavin analogs into PTK pp60(c-src), where a good correlation between their IC(50) and AutoDock binding free energy was exhibited. In particular, 2-deoxo-2-phenylflavin-5-oxides exhibited the highest potential binding affinity within the binding pocket of PTK.
新型2-脱氧-2-苯基-5-脱氮黄素和2-脱氧-2-苯基黄素-5-氧化物被制备为一类新型抗肿瘤剂，并对NCI-H 460、HCT 116、A 431、CCRF-HSB-2和KB细胞系显示出显著的抗肿瘤活性。在体内研究中，2-脱氧-10-甲基-2-苯基-5-脱氮黄素对皮下移植到裸鼠体内的A 431人腺癌细胞表现出有效的抗肿瘤活性。此外，通过黄素类似物与PTK pp60(c-src)的结合进行了AutoDock研究，结果显示它们的IC(50)与AutoDock结合自由能之间具有良好的相关性。特别是，2-脱氧-2-苯基黄素-5-氧化物在PTK的结合口袋内表现出最高的潜在结合亲和力。
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