Chemistry of Natural and Microbial Products Department, Pharmaceutical Industry Research Division, National Research Centre, Cairo 12622, Egypt.
Bioinformatics Department, Armed Forces College of Medicine (AFCM), Cairo 12622, Egypt.
Molecules. 2021 Apr 19;26(8):2370. doi: 10.3390/molecules26082370.
Diabetes is the most common metabolic disorder in both developing and non-developing countries, and a well-recognized global health problem. The WHO anticipates an increase in cases from 171 million in 2000 to 366 million by 2030. In the present study, we focus on the preparation of pyrimidine derivatives as potential antidiabetic and antimicrobial agents. Thein vivoeffect on total serum glucose concentration, cholesterol and antioxidant activity was assessed in adult male albino Wister rats and compared to the reference drug glimperide. Promising results were observed for compound . The histopathological study confirms that compound results in significant activity with liver maintenance. The antimicrobial activities were evaluated against several bacterial strains such as ATCC 25566 NRRN 3008 ATCC 10145 ATCC 6538and fungi such as and Compounds and showed a good inhibition of the bacterial zone compared to the reference drug cephradine. Finally, we suggest protein targets for these drugs based on computational analysis, and infer their activities from their predicted modes of binding using molecular modeling. The molecular modeling for compounds and resulted in improved docking scores and hydrogen bonding. The docking studies are in good agreement with the in vitro and in vivo studies.
糖尿病是发展中国家和非发展中国家最常见的代谢紊乱疾病，也是一个公认的全球性健康问题。世界卫生组织预计，病例数将从 2000 年的 1.71 亿增加到 2030 年的 3.66 亿。在本研究中，我们专注于嘧啶衍生物作为潜在的抗糖尿病和抗菌药物的制备。在成年雄性白化 Wister 大鼠中评估了其对总血清葡萄糖浓度、胆固醇和抗氧化活性的体内影响，并与参比药物格列美脲进行了比较。化合物 表现出有前景的结果。组织病理学研究证实，化合物 对肝脏具有显著的维持作用。抗菌活性评估了几种细菌菌株，如 ATCC 25566 NRRN 3008 ATCC 10145 ATCC 6538 和真菌，如 和 与参比药物头孢拉定相比，化合物 和 对细菌区具有良好的抑制作用。最后，我们基于计算分析为这些药物建议了蛋白质靶标，并通过分子建模推断它们的结合模式来预测它们的活性。化合物 和 的分子建模导致对接评分和氢键的改善。对接研究与体外和体内研究结果一致。
