7-叠氮哚查尔酮作为Raf-B抑制剂的设计

D. Giles, V. Saiprabha, G. Yeshna
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引用次数: 1

摘要

本文研究了7-叠氮都乐衍生物对Raf-B的抑制作用。所有设计的化合物都遵循利平斯基的五法则。所有设计化合物的计算机ADME预测表明,所有化合物都没有生物利用度问题。这些化合物是根据对Raf-B抑制的结合亲和力设计的。结果表明,所设计的化合物很少与受体活性位点有显著的相互作用。以3-羟基-2-甲基取代查尔酮的化合物比其他设计的化合物具有最大的对接分数。
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Design of Chalcones of 7-Azaindole as Raf-B Inhibitors
The present work deals with the design of 7-azaindole derivatives for its Raf-B inhibition. All the designed compounds follows Lipinski’s rule of five. In silico ADME predictions of all the designed compounds suggests that none of the compounds have problem with bioavailability. The compounds were designed on the binding affinity towards the Raf-B inhibition. It was observed that few of the designed compounds were found to have significant interaction with the active site of the receptor. The compounds possessing 3-hydroxyl-2-methyl as substitution in chalcone was found to possess maximum docking score than other designed compounds.
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