Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles

A series of Schiff bases 14–25 were designed and synthesized for evaluation of their antibacterial properties against multi-drug resistant bacteria (MDRB). The antibacterial activities of Schiff bases 14–25 showed that most of the synthesized compounds displayed a significant antibacterial activity....

Descripción completa

Detalles Bibliográficos
Autores principales: Hassan, Ashraf S., Askar, Ahmed A., Nossier, Eman S., Naglah, Ahmed M., Moustafa, Gaber O., Al-Omar, Mohamed A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6749370/
https://www.ncbi.nlm.nih.gov/pubmed/31466322
http://dx.doi.org/10.3390/molecules24173130
_version_ 1783452262625968128
author Hassan, Ashraf S.
Askar, Ahmed A.
Nossier, Eman S.
Naglah, Ahmed M.
Moustafa, Gaber O.
Al-Omar, Mohamed A.
author_facet Hassan, Ashraf S.
Askar, Ahmed A.
Nossier, Eman S.
Naglah, Ahmed M.
Moustafa, Gaber O.
Al-Omar, Mohamed A.
author_sort Hassan, Ashraf S.
collection PubMed
description A series of Schiff bases 14–25 were designed and synthesized for evaluation of their antibacterial properties against multi-drug resistant bacteria (MDRB). The antibacterial activities of Schiff bases 14–25 showed that most of the synthesized compounds displayed a significant antibacterial activity. Assessment of in silico ADMET properties (absorption, distribution, metabolism, excretion and toxicity) of Schiff bases illustrates that all derivatives showed agreement to the Lipinski’s rule of five. Further enzymatic assay aided by molecular docking study demonstrated that compound 18 is a potent inhibitor of staphylococcus aureus DNA gyrase and dihydrofolate reductase kinases. This study could be valuable in the discovery of new potent antimicrobial agents.
format Online
Article
Text
id pubmed-6749370
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-67493702019-09-27 Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles Hassan, Ashraf S. Askar, Ahmed A. Nossier, Eman S. Naglah, Ahmed M. Moustafa, Gaber O. Al-Omar, Mohamed A. Molecules Article A series of Schiff bases 14–25 were designed and synthesized for evaluation of their antibacterial properties against multi-drug resistant bacteria (MDRB). The antibacterial activities of Schiff bases 14–25 showed that most of the synthesized compounds displayed a significant antibacterial activity. Assessment of in silico ADMET properties (absorption, distribution, metabolism, excretion and toxicity) of Schiff bases illustrates that all derivatives showed agreement to the Lipinski’s rule of five. Further enzymatic assay aided by molecular docking study demonstrated that compound 18 is a potent inhibitor of staphylococcus aureus DNA gyrase and dihydrofolate reductase kinases. This study could be valuable in the discovery of new potent antimicrobial agents. MDPI 2019-08-28 /pmc/articles/PMC6749370/ /pubmed/31466322 http://dx.doi.org/10.3390/molecules24173130 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Hassan, Ashraf S.
Askar, Ahmed A.
Nossier, Eman S.
Naglah, Ahmed M.
Moustafa, Gaber O.
Al-Omar, Mohamed A.
Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles
title Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles
title_full Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles
title_fullStr Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles
title_full_unstemmed Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles
title_short Antibacterial Evaluation, In Silico Characters and Molecular Docking of Schiff Bases Derived from 5-aminopyrazoles
title_sort antibacterial evaluation, in silico characters and molecular docking of schiff bases derived from 5-aminopyrazoles
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6749370/
https://www.ncbi.nlm.nih.gov/pubmed/31466322
http://dx.doi.org/10.3390/molecules24173130
work_keys_str_mv AT hassanashrafs antibacterialevaluationinsilicocharactersandmoleculardockingofschiffbasesderivedfrom5aminopyrazoles
AT askarahmeda antibacterialevaluationinsilicocharactersandmoleculardockingofschiffbasesderivedfrom5aminopyrazoles
AT nossieremans antibacterialevaluationinsilicocharactersandmoleculardockingofschiffbasesderivedfrom5aminopyrazoles
AT naglahahmedm antibacterialevaluationinsilicocharactersandmoleculardockingofschiffbasesderivedfrom5aminopyrazoles
AT moustafagabero antibacterialevaluationinsilicocharactersandmoleculardockingofschiffbasesderivedfrom5aminopyrazoles
AT alomarmohameda antibacterialevaluationinsilicocharactersandmoleculardockingofschiffbasesderivedfrom5aminopyrazoles

Ejemplares similares