Synthesis, identification of some new tetrazoline, thiazolidin-4-one and imidazolidin-4-one derivatives and evaluation anticancer of their molecular docking and anti-oxidant experimental

Mohammed B. Wathiq AL-tamimi, Suaad M. H. Al-Majidi
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Abstract

In this study, a new series of 1,3-dimethyl-6-(amino aceto hydrazine) pyrimidine-2,4- dione-6-yl with 4-substituted benzyldehyde, The compound (1-5) was synthesized in a single pot that cyclization by the addition of sodium azide, 2-mercapto acid & 2-amino acetic acid to produce five-membered heterocyclic rings includes: tetrazoline-1yl (6-10), thiazolidin-4-one (11-15) and imidazolidin-4-one (16-20) derivatives respectively. These compounds were characterized using spectral methods [FTIR and 1HNMR, 13C-NMR for some of them] evaluations, measurements, and analyses of their physical qualities. Each molecule was evaluated for antioxidant activity in vitro to use the DPPH and phosphomolybdenum methods. When compared to the standard drug Ascorbic acid, (1-20) demonstrated promising antioxidant activity among the bioactive molecules synthesized. Furthermore, molecular docking against, substances showed superiority over the standard medication Exemestane in tests of the Aromatase enzyme.
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新四唑啉、噻唑烷-4- 1和咪唑烷-4- 1衍生物的合成、鉴定及其分子对接抗癌评价和抗氧化实验
本研究以1,3-二甲基-6-(氨基乙酰肼)嘧啶-2,4-二酮-6-基和4-取代苯甲醛为原料,通过叠氮化钠、2-巯基酸和2-氨基乙酸的加入,在单锅内合成了化合物(1-5),分别为:四氮唑-1基(6-10)、噻唑烷-4- 1(11-15)和咪唑烷-4- 1(16-20)衍生物。这些化合物使用光谱方法进行表征[FTIR和1HNMR,其中一些使用13C-NMR],评估,测量和分析它们的物理性质。采用DPPH法和磷钼法对各分子进行体外抗氧化活性评价。与标准药物抗坏血酸相比,(1-20)在合成的生物活性分子中显示出良好的抗氧化活性。此外,在芳香酶的测试中,与物质的分子对接显示出优于标准药物依西美坦的优势。
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