Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard (Hamdard University), Hamdard Nagar, New Delhi 110062, India.
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard (Hamdard University), Hamdard Nagar, New Delhi 110062, India.
Eur J Med Chem. 2014 Aug 18;83:630-45. doi: 10.1016/j.ejmech.2014.06.033. Epub 2014 Jun 17.
Design and synthesis of new pyrimidine derivatives clubbed with thiazolidin-4-one from 4-(2-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-2-amine and their in vitro anticancer activities were screened at National Cancer Institute (NCI), USA against full NCI 60 cell lines. Compound 2 (NSC: 765735) exhibited remarkable growth inhibition at single dose (10 μM) and encourage chosen for broadcast at 10-fold dilutions of five different concentrations (0.01, 0.1, 1, 10 and 100 μM). The compound 2 was found better quality for Lung cancer cell line (HOP-92) by viewing growth inhibition (GI50 0.52) and no cytotoxicity seen (LC50 > 100). Molecular docking study was performed using Maestro 9.0 (Schrodinger Inc. USA) to provide binding mode into binding sites of CDK2. Compound 2 could be used as a lead compound for developing new potential anticancer agents.
新型嘧啶衍生物的设计与合成，将噻唑烷-4-酮与 4-(2-氯苯基)-6-(2,4-二氯苯基)嘧啶-2-胺连接起来，在美国国立癌症研究所（NCI）对全 NCI 60 细胞系进行了体外抗癌活性筛选。化合物 2（NSC：765735）在单剂量（10 μM）时表现出显著的生长抑制作用，并被选中在五个不同浓度（0.01、0.1、1、10 和 100 μM）的 10 倍稀释倍数下进行广播。通过观察生长抑制（GI50 0.52）和未观察到细胞毒性（LC50>100），发现化合物 2 对肺癌细胞系（HOP-92）具有更好的质量。使用 Maestro 9.0（Schrodinger Inc. USA）进行分子对接研究，以提供进入 CDK2 结合位点的结合模式。化合物 2 可作为开发新型潜在抗癌药物的先导化合物。
