Possible Mechanism of Action of Neurokinin-1 Receptors （NK1R） Antagonists  

作　　者：Ozum Ozturk Esin Aki-Yalcin Tugba Ertan-Bolelli Kayhan Bolelli Andry Nur-Hidayat Ozlem Bingol-Ozakpinar Filiz Ozdemir Ismail Yalcin 

机构地区：[1]Pharmacy Chemistry Department, Faculty of Pharmacy, Ankara University, Ankara 06100, Turkey [2]Bioinformatics Department, Biotechnology Institution, Ankara University, Ankara 06100, Turkey [3]Biochemistry Department, Faculty of Pharmacy, Marmara University, Istanbu134722, Turkey [4]Analytical Chemistry Department, Faculty of Pharmacy, Marmara University, Istanbu134722, Turkey

出　　处：《Journal of Pharmacy and Pharmacology》2017年第11期787-797,共11页药剂与药理学（英文版）

摘　　要：Recently, NK1R （Neurokinin-1 receptors） take attention as new and promising target in anticancer drug development area. It has been proved that non-peptide NK1R antagonists L-733,060, aprepitant and L-732,138 inhibited tumor growth in several cancer cell lines. For the development of novel NK1R antagonists as antitumor agents, heterocyclic compounds which were previously synthesized by our team, tested for their cytotoxic activities in several cancer cell lines in this study. Among the tested compounds, a benzothiazole derivative BSN-009 inhibited colon cancer cell lines growth by 57.53% by comparing the activity to the control drug aprepitant. Molecular modeling studies such as molecular docking and pharmacophore generation were performed with known NK1R antagonists and BSN-009 by using Discovery Studio 3.5 in order to explain their binding modes to NK1R. BSN-009 may be a good anticancer drug candidate as a possible NK1R antagonist and is worthy to carry on the anticancer studies.

关 键 词：ANTICANCER APREPITANT BENZOTHIAZOLE docking NK1 receptor antagonist pharmacophore. 

分 类 号：TQ463.54[化学工程—制药化工] O657.8[理学—分析化学]