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109676

3D-Molecular Modeling, Antibacterial Activity and Molecular Docking Studies of Some Imidazole Derivatives

Article

Last updated: 01 Jan 2025

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Subjects

-

Tags

Organic chemistry

Abstract

In the present work, we have reported the theoretical and biological activities of some imidazole (MIPBD, CMIBP, MIBPBD) derivatives. Here, the synthesis of one novel substituted imidazo-amino pyridinyl derivative (MIPBD) has also been reported. The structure of this compound was identified by NMR and mass spectroscopy. Molecular modeling studies have confirmed that CMIBP (ΔE= 0.16508 eV) is more stable than others. Antibacterial investigation exhibited good to excellent activity for all these compounds against two tested bacterial strains (S. aureus and E. coli). Moreover, molecular docking studies were carried out, which was consistent with experimental studies. The results motivate us for further studies of imidazole derivatives which will be helpful for the development of novel antibacterial agents.

DOI

10.21608/ejchem.2020.31043.2662

Keywords

Imidazol, DFT, Antibacterial activity, docking, Synthesis

Authors

First Name

Dhafer S.

Last Name

Zinad

MiddleName

-

Affiliation

Applied Science Department, University of Technology, Baghdad 10001, Iraq.

Email

100416@uotechnology.edu.iq

City

Baghdad

Orcid

0000-0002-8101-2788

First Name

Ahmed

Last Name

Mahal

MiddleName

-

Affiliation

Key Laboratory of Plant Resources Conservation and Sustainable Utilization and Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou 510650, People’s Republic of China., Guangzhou HC Pharmaceutical Co., Ltd, Guangzhou 510663, People's Republic of China

Email

ahmed.mahal@cihanuniversity.edu.iq

City

Guangzhou

Orcid

0000-0002-6977-3752

First Name

Abdulqader M.

Last Name

A-Qader

MiddleName

-

Affiliation

Chemistry Science Department, Al-Iraqia University, Baghdad, Iraq.

Email

alqader7@gmail.com

City

Baghdad

Orcid

-

First Name

Siswandono

Last Name

Siswodihardjo

MiddleName

-

Affiliation

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Airlangga, Jalan Airlangga No. 4-6, Surabaya 60115, Jawa Timur, Indonesia

Email

prof.sis@ff.unair.ac.id

City

Jawa Timur

Orcid

-

First Name

Mohammad Rizki Fadhil

Last Name

Pratama

MiddleName

-

Affiliation

Department of Pharmacy, Faculty of Health Sciences, Muhammadiyah University of Palangkaraya, Palangka Raya 73111, Indonesia, Doctoral Program of Pharmaceutical Sciences, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Airlangga University, Surabaya 60115, Indonesia

Email

mohammadrizkifadhilpratama@gmail.com

City

Palangka Raya

Orcid

0000-0002-0727-4392

First Name

Ranjan

Last Name

Mohapatra

MiddleName

-

Affiliation

Department of Chemistry, Government College of Engineering, Keonjhar-758002, Odisha, India

Email

ranjank_mohapatra@yahoo.com

City

Odisha

Orcid

0000-0001-7623-3343

Volume

64

Article Issue

1

Related Issue

19680

Issue Date

2021-01-01

Receive Date

2020-05-26

Publish Date

2021-01-01

Page Start

93

Page End

105

Print ISSN

0449-2285

Online ISSN

2357-0245

Article File

EJCHEM_Volume 64_Issue 1_Pages 93-105.pdf

PDF . 1.2MB

Link

https://ejchem.journals.ekb.eg/article_109676.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=109676

Order

10

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

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

MainTitle

3D-Molecular Modeling, Antibacterial Activity and Molecular Docking Studies of Some Imidazole Derivatives

Details

Type

Article

Created At

22 Jan 2023