QSAR of antioxidant activity of some novel sulfonamide derivatives

被引：2
作者：
Abdulrahman, Shaymaa H. [1 ]
Al-khayat, Rawya Z. [2 ]
Alhamdany, Ali Younis [2 ]
Ali, Wasan Kh [1 ]
机构：
[1] Univ Mosul, Coll Sci, Dept Chem, Mosul, Iraq
[2] Northern Tech Univ, Mosul Tech Inst, Dept Chem & Oil Ind, Mosul, Iraq
来源：
EGYPTIAN JOURNAL OF CHEMISTRY | 2022年 / 65卷 / 08期
关键词：
QSAR; antioxidant activity; sulphonamide derivatives; molecular descriptors; CARBONIC-ANHYDRASE INHIBITORS; ANTICANCER; FRUIT;
D O I：
10.21608/EJCHEM.2022.108438.4957
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Development in discovery new drugs as antioxidants is still take a large interest between the scientists because oxidative stress has been caused a wide range of diseases such as chronic obstructive pulmonary disease (COPD), atherosclerosis, cancer and Alzheimer disease. In this article, we have been chosen benzene sulphonamide derivatives which had been synthesized and evaluated as anti-oxidants for QSAR study. We made mathematical relationship between (AOs) and three descriptors log(omega) electrophilicity, SCF and Mol Refractivity (IC50 = - 6.38 - 9.26 log (omega)- 0.00173 SCF - 0.235 Mol Refractivity). By this equation, the values of experimental (IC50) and estimated (IC50) using the QSAR model have the convergence between the two values. By using QSAR model we predict new compounds have effectiveness as antioxidants. For example, 2g and 2j which have (calculated IC50 =0.33578 and 0.3412), respectively.
引用
收藏
页码：489 / 497
页数：9
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