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172431

Design, Synthesis and Molecular Docking of New Benzimidazole Derivatives of Potential Antimicrobial Activity as DNA Gyrase and Topoisomerase IV Inhibitors

Article

Last updated: 22 Jan 2023

Subjects

-

Tags

Pharmaceutical Chemistry

Abstract

A new series of benzimidazole derivatives 3a-3d, 4a-4c, 8a-8d, 9a,9b, 10a-10d and 11 was synthesized and evaluated as antimicrobial agents against various gram-positive, gram-negative bacteria and fungi using vibramycin and fluconazole as positive controls for the antibacterial and antifungal activities, respectively. The examined microbial strains showed variable sensitivities against the target compounds.The examined microbial strains showed variable sensitivities against the target compounds. The minimum inhibitory concentration (MIC) was determined for the compounds showed zone of inhibition ≥ 16 mm (4a, 4c, 8a, 10a). The latter derivatives were also examined as S. aureus DNA gyrase/topoisomerase IV inhibitors. The compounds 4a, and 8a represented the most promising activity for both enzymes in ATPase assay (IC50 4a 0.39, 0.52 and 8a 0.66, 0.28 µM respectively) as well as the safest profile against the human normal WI38 cells upon comparing with Ciprofloxacin and Novobiocin. Compounds 8a showed dual inhibitory effect against both targets DNA gyrase and topoisomerase IV in supercoiling and decatenation assay (IC50 0.443 and 1.15 µM respectively). Both compounds 4a and 8a can be considered as lead compounds for further structural modifications to obtain more potent DNA gyrase and topoisomerase inhibitors as antibacterial agents. Molecular docking study was performed for the most promising compounds to explore the pharmacophoric moieties that governed their binding with amino acid residues of DNA gyrase and topoisomerase IV using MOE software. The results revealed a binding mode and docking scores comparable to those of a reference ligand and consistent with their DNA gyrase and topoisomerase IV inhibition activity.

DOI

10.21608/ejchem.2021.75953.3714

Keywords

Benzimidazole, Antimicrobial, Gyrase, Topoisomerase IV, Cytotoxic activity, Molecular docking

Authors

First Name

Wafaa A.

Last Name

Zaghary

MiddleName

-

Affiliation

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, P.O. Box 11795, Cairo, Egypt

Email

wzaghary@yahoo.com

City

-

Orcid

-

First Name

Manal M.

Last Name

Anwar

MiddleName

-

Affiliation

Department of Therapeutic Chemistry, National Research Centre, Dokki, Cairo 12622, Egypt

Email

manal.hasan52@live.com

City

-

Orcid

0000-0002-3967-4534

First Name

Somaia S.

Last Name

Abd El-Karim

MiddleName

-

Affiliation

Department of Therapeutic Chemistry, National Research Centre, Dokki, Cairo 12622, Egypt

Email

somaia_elkarim@hotmail.com

City

-

Orcid

-

First Name

Ghada E.A.

Last Name

Awad

MiddleName

-

Affiliation

Chemistry of Natural and Microbial Products Department, National Research Centre, Dokki, Cairo, 12622, Egypt

Email

ghadaawad18@yahoo.com

City

-

Orcid

-

First Name

Gehad K.

Last Name

Hussein

MiddleName

-

Affiliation

Chemistry Department, Faculty of Pharmacy October 6 University El-Giza, Egypt

Email

manal.hasan52@yahoo.com

City

-

Orcid

-

First Name

Nadia M.

Last Name

Mahfouz

MiddleName

-

Affiliation

Chemistry Department, Faculty of Pharmacy October 6 University El-Giza, Egypt

Email

nadia_mahfouz@yahoo.com

City

-

Orcid

-

Volume

64

Article Issue

7

Related Issue

25275

Issue Date

2021-07-01

Receive Date

2021-05-10

Publish Date

2021-07-01

Page Start

3,817

Page End

3,839

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_172431.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=172431

Order

57

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

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

MainTitle

-

Details

Type

Article

Created At

22 Jan 2023