QSAR of antioxidant activity of some novel sulfonamide derivatives. | ||||
| Egyptian Journal of Chemistry | ||||
| Article 44, Volume 65, Issue 8, August 2022, Page 489-497 PDF (400.33 K) | ||||
| Document Type: Original Article | ||||
| DOI: 10.21608/ejchem.2022.108438.4957 | ||||
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| Authors | ||||
Shaymaa H. Abdulrahman   1; Rawya Z. Al-khayat2; Ali younis Alhamdany2; Wasan Kh. Ali1
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| 1Department of Chemistry, College of Sciences, University of Mosul, Mosul, Iraq | ||||
| 2Department of Chemical and Oil Industries, Northern Technical University, Mosul Technical Institute, Mosul, Iraq. | ||||
| Abstract | ||||
| 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(ω) electrophilicity , SCF and Mol Refractivity (IC50 = - 6.38 - 9.26 log (ω)- 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. | ||||
| Keywords | ||||
| QSAR; antioxidant activity; sulphonamide derivatives; molecular descriptors | ||||
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