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Synthesis and docking studies of novel quinoline substituted thiobarbituric acid derivatives as potential therapeutic agents for type-II diabetes

机译:新型喹啉取代的硫代巴比妥酸衍生物作为II型糖尿病潜在治疗剂的合成与对接研究

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摘要

In the present work novel 5-((2-chloroquinolin-3-yl)methylene)-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione derivatives were synthesized by Knoevenagel condensation of 2-chloroquinoline-3-carbaldehyde with thiobarbituric acid. The synthesized compounds were successfully characterized by FTIR, H-1 NMR and C-13 NMR. Further comparative docking studies were carried out to find out the effective binding affinity of thiobarbituric acid derivatives with Peroxisome Proliferator Activated Receptor-Gamma (PPAR-gamma) and aldose reductase receptors with to that of standard, Rosiglitazone and Epalrestat. The results obtained have clearly shown that 5-((2-chloroquinolin-3-yfimethylene)-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione possess good binding affinity with PPAR-gamma, aldose reductase receptors on par with the standard.
机译:在本工作中,通过2-氯喹啉-3-甲醛的Knoevenagel缩合反应合成了新的5-(((2-氯喹啉-3-基)亚甲基)-二氢-2-硫代嘧啶-4,6(1H,5H)-二酮衍生物。与硫代巴比妥酸。 FTIR,H-1 NMR和C-13 NMR成功地表征了合成的化合物。进行了进一步的比较对接研究,以发现硫代巴比妥酸衍生物与过氧化物酶体增殖物激活受体-γ(PPAR-γ)和醛糖还原酶受体与标准品,罗格列酮和Epalrestat的有效结合亲和力。得到的结果清楚地表明5-((2-氯喹啉-3-亚甲基)-二氢-2-硫代嘧啶-4,6(1H,5H)-二酮与PPAR-γ,醛糖还原酶受体具有良好的结合亲和力。与标准。

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