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300941

SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR DOCKING OF DIARYLIMIDAZOLE DERIVATIVES AS NEW POTENTIAL ANTI-INFLAMMATORY AGENTS TARGETING COX-2 ENZYME

Article

Last updated: 25 Dec 2024

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Abstract

A series of diaryl imidazole derivatives (5a-h) was designed as novel selective COX-2 anti-inflammatory drug candidates. The designed compounds were synthesised, and their structures were characterized by spectroscopic analysis. The anticipated anti-inflammatory activity for the synthesized compounds was assessed by in-vitro cyclooxygenases (COX-1/COX-2) inhibition assay. Most of tested compounds demonstrated moderate COX-2 inhibitory activity and selectivity (IC50 = 0.068 – 0.80 µm, SI = 7.5 - 175) in comparison to indomethacin (IC50 = 0.079 µm, SI = 12.5) and celecoxib (IC50 = 0.046 µm, SI = 315.22). Molecular modelling study of the synthesized compounds into the active site of COX-2 enzyme was performed to rationalize their preferred binding affinity; except for compound 5f, all compounds showed binding with amino acids at the selectivity pocket Additionally, In-silico simulation studies explored the drug drug-likeness parameters of the synthesized compounds, all synthesized compounds exhibited promising physicochemical parameters and pharmacokinetics according to the in-silico simulation results.    

DOI

10.21608/bfsa.2023.300941

Keywords

COX-1/ COX-2 inhibitors, imidazole, Anti-inflammatory, docking

Authors

First Name

Amany

Last Name

Ghanim

MiddleName

M.

Affiliation

Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig 44519, Egypt

Email

amanyghanim@yahoo.com

City

-

Orcid

-

First Name

Hend

Last Name

Abd El-wahab

MiddleName

A. A.

Affiliation

Department of Medicinal Chemistry, Faculty of Pharmacy, Assiut University, Assiut 7526, Egypt

Email

hendaboelmaged@aun.edu.eg

City

-

Orcid

0000-0002-9008-6439

Volume

46

Article Issue

1

Related Issue

41495

Issue Date

2023-06-01

Receive Date

2023-01-02

Publish Date

2023-06-01

Page Start

239

Page End

250

Print ISSN

1110-0052

Online ISSN

3009-7703

Article File

BFSA_Volume 46_Issue 1_Pages 239-250.pdf

PDF . 927.5kB

Link

https://bpsa.journals.ekb.eg/article_300941.html

Detail API

https://bpsa.journals.ekb.eg/service?article_code=300941

Order

300,941

Type

Original Article

Type Code

1,096

Publication Type

Journal

Publication Title

Bulletin of Pharmaceutical Sciences Assiut University

Publication Link

https://bpsa.journals.ekb.eg/

MainTitle

SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR DOCKING OF DIARYLIMIDAZOLE DERIVATIVES AS NEW POTENTIAL ANTI-INFLAMMATORY AGENTS TARGETING COX-2 ENZYME

Details

Type

Article

Created At

25 Dec 2024