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首页> 外文期刊>Asian Journal of Pharmaceutical and Clinical Research >DESIGN, SYNTHESIS, AND DOCKING OF SULFADIAZINE SCHIFF BASE SCAFFOLD FOR THEIR POTENTIAL CLAIM AS INHA ENOYL-(ACYL-CARRIER-PROTEIN) REDUCTASE INHIBITORS
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DESIGN, SYNTHESIS, AND DOCKING OF SULFADIAZINE SCHIFF BASE SCAFFOLD FOR THEIR POTENTIAL CLAIM AS INHA ENOYL-(ACYL-CARRIER-PROTEIN) REDUCTASE INHIBITORS

机译:磺胺嘧啶-(酰基-载体蛋白)还原酶抑制剂的潜在权利要求的磺胺嘧啶席夫基支架的设计,合成和对接

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摘要

Objective: An effort was made to design and synthesize the series of sulfadiazine building blocks as a targeted candidate for antimycobacterial activity. Method: The synthesized compounds were subjected to preliminary in silico screening study for testing their antimycobacterial action by doing their molecular docking study on bioinformatics software, molecular operating environment 2009.10. Result: The results obtained from this tool showed that there is a best docking affinity score of these target compounds against the enzyme InhA Enoyl-(acyl-carrier-protein) reductase from Mycobacterium tuberculosis (MTB) pathogen, which is one of the key enzymes involved in the type II fatty acid biosynthesis pathway of MTB. Conclusion: Thus, the synthesized sulfadiazine Schiff base derivatives might serve as the best drug candidate for the existence of menacing pathogen MTB.
机译:目的:努力设计和合成一系列磺胺嘧啶构件,作为抗分枝杆菌活性的候选对象。方法:通过在生物信息学软件上进行分子对接研究,在分子操作环境2009.10上对合成的化合物进行初步的计算机筛选研究,以测试其抗分枝杆菌的作用。结果:从该工具获得的结果表明,这些目标化合物与结核分枝杆菌(MTB)病原体中的关键酶之一InhA Enoyl-(酰基载体蛋白)还原酶的最佳对接亲和力得分参与MTB的II型脂肪酸生物合成途径。结论:因此,合成的磺胺嘧啶Schiff碱衍生物可能是存在威胁性病原体MTB的最佳候选药物。

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