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213885

QSAR of antioxidant activity of some novel sulfonamide derivatives.

Article

Last updated: 01 Jan 2025

Subjects

-

Tags

Physical chemistry

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.

DOI

10.21608/ejchem.2022.108438.4957

Keywords

QSAR, Antioxidant activity, sulphonamide derivatives, molecular descriptors

Authors

First Name

Shaymaa H.

Last Name

Abdulrahman

MiddleName

-

Affiliation

Department of Chemistry, College of Sciences, University of Mosul, Mosul, Iraq

Email

shaymaaabdulrahman912@gmail.com

City

Mosul

Orcid

0000-0001-8270-0892

First Name

Rawya Z.

Last Name

Al-khayat

MiddleName

-

Affiliation

Department of Chemical and Oil Industries, Northern Technical University, Mosul Technical Institute, Mosul, Iraq.

Email

-

City

-

Orcid

-

First Name

Ali younis

Last Name

Alhamdany

MiddleName

-

Affiliation

Department of Chemical and Oil Industries, Northern Technical University, Mosul Technical Institute, Mosul, Iraq.

Email

-

City

-

Orcid

-

First Name

Wasan Kh.

Last Name

Ali

MiddleName

-

Affiliation

Department of Chemistry, College of Sciences, University of Mosul, Mosul, Iraq

Email

-

City

-

Orcid

-

Volume

65

Article Issue

8

Related Issue

31862

Issue Date

2022-08-01

Receive Date

2021-11-28

Publish Date

2022-08-01

Page Start

489

Page End

497

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_213885.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=213885

Order

44

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

QSAR of antioxidant activity of some novel sulfonamide derivatives.

Details

Type

Article

Created At

22 Jan 2023