Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking

Prontosil, the sulfonamide compound that started the antibacterial era, was the first commercially available antibacterial agent. Sulfonamide functional groups have gained importance in medicinal chemistry since the first announcement of antibacterial drugs. Synthetic sulfonamides are generally used...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Hilal Öztürk, Nuri Yorulmaz, Mustafa Durgun, Zeynep Turhan İrak, İsmail Hakkı Sarpün
Formato:	article
Lenguaje:	EN TR
Publicado:	Suleyman Demirel University 2021
Materias:	molecular docking sulfonamide antibacterial properties Science (General) Q1-390
Acceso en línea:	https://doaj.org/article/31c1cd03b31a4879bbe0f2c6ece44861
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:31c1cd03b31a4879bbe0f2c6ece44861
record_format	dspace
spelling	oai:doaj.org-article:31c1cd03b31a4879bbe0f2c6ece448612021-11-26T09:49:19ZDetermination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking1306-757510.29233/sdufeffd.996484https://doaj.org/article/31c1cd03b31a4879bbe0f2c6ece448612021-11-01T00:00:00Zhttps://dergipark.org.tr/tr/pub/sdufeffd/issue/65893/996484https://doaj.org/toc/1306-7575Prontosil, the sulfonamide compound that started the antibacterial era, was the first commercially available antibacterial agent. Sulfonamide functional groups have gained importance in medicinal chemistry since the first announcement of antibacterial drugs. Synthetic sulfonamides are generally used for the treatment of bacterial infections in biological systems, as well as antifungal, anti-inflammatory antioxidant, diuretics, carbonic anhydrases, antitumor and so on. It has aroused high curiosity in biology and medicine due to its wide range of biological applications. In this study, molecular docking studies were applied to investigate the potential antibacterial properties of sulfonamide derivative compounds synthesized in previous study. The binding energies was anaylzed by Autodock 4.2 code which also performed molecular docking. Docking simulations of sulfonamide compounds at the active site of E. coli β-ketoacyl-acyl carrier protein synthase III (KAS III, PDB ID: 1HNJ) were performed to determine possible binding patterns and inhibitory effects. Docking results were also compared with triclosan used as a commercial antibacterial agent. Biovia Discovery Studio Visualizer 2020 and Autodock 4.2 software were used to analyze results of molecular docking.The binding energies of 3, 4, 5 and 6 sulfonamides used in the study to KAS III enzyme were found to be -6.94, -7.22, -7.76, -8.13, respectively. As a result of molecular docking study, these sulfonamide derivatives may have potential antibacterial properties.Hilal ÖztürkNuri YorulmazMustafa DurgunZeynep Turhan İrakİsmail Hakkı SarpünSuleyman Demirel Universityarticlemolecular dockingsulfonamideantibacterial propertiesScience (General)Q1-390ENTRSüleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, Vol 16, Iss 2, Pp 458-467 (2021)
institution	DOAJ
collection	DOAJ
language	EN TR
topic	molecular docking sulfonamide antibacterial properties Science (General) Q1-390
spellingShingle	molecular docking sulfonamide antibacterial properties Science (General) Q1-390 Hilal Öztürk Nuri Yorulmaz Mustafa Durgun Zeynep Turhan İrak İsmail Hakkı Sarpün Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking
description	Prontosil, the sulfonamide compound that started the antibacterial era, was the first commercially available antibacterial agent. Sulfonamide functional groups have gained importance in medicinal chemistry since the first announcement of antibacterial drugs. Synthetic sulfonamides are generally used for the treatment of bacterial infections in biological systems, as well as antifungal, anti-inflammatory antioxidant, diuretics, carbonic anhydrases, antitumor and so on. It has aroused high curiosity in biology and medicine due to its wide range of biological applications. In this study, molecular docking studies were applied to investigate the potential antibacterial properties of sulfonamide derivative compounds synthesized in previous study. The binding energies was anaylzed by Autodock 4.2 code which also performed molecular docking. Docking simulations of sulfonamide compounds at the active site of E. coli β-ketoacyl-acyl carrier protein synthase III (KAS III, PDB ID: 1HNJ) were performed to determine possible binding patterns and inhibitory effects. Docking results were also compared with triclosan used as a commercial antibacterial agent. Biovia Discovery Studio Visualizer 2020 and Autodock 4.2 software were used to analyze results of molecular docking.The binding energies of 3, 4, 5 and 6 sulfonamides used in the study to KAS III enzyme were found to be -6.94, -7.22, -7.76, -8.13, respectively. As a result of molecular docking study, these sulfonamide derivatives may have potential antibacterial properties.
format	article
author	Hilal Öztürk Nuri Yorulmaz Mustafa Durgun Zeynep Turhan İrak İsmail Hakkı Sarpün
author_facet	Hilal Öztürk Nuri Yorulmaz Mustafa Durgun Zeynep Turhan İrak İsmail Hakkı Sarpün
author_sort	Hilal Öztürk
title	Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking
title_short	Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking
title_full	Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking
title_fullStr	Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking
title_full_unstemmed	Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking
title_sort	determination of antibacterial properties of some sulfonamide compounds by molecular docking
publisher	Suleyman Demirel University
publishDate	2021
url	https://doaj.org/article/31c1cd03b31a4879bbe0f2c6ece44861
work_keys_str_mv	AT hilalozturk determinationofantibacterialpropertiesofsomesulfonamidecompoundsbymoleculardocking AT nuriyorulmaz determinationofantibacterialpropertiesofsomesulfonamidecompoundsbymoleculardocking AT mustafadurgun determinationofantibacterialpropertiesofsomesulfonamidecompoundsbymoleculardocking AT zeynepturhanirak determinationofantibacterialpropertiesofsomesulfonamidecompoundsbymoleculardocking AT ismailhakkısarpun determinationofantibacterialpropertiesofsomesulfonamidecompoundsbymoleculardocking
_version_	1718409648607854592

Determination of Antibacterial Properties of Some Sulfonamide Compounds by Molecular Docking

Ejemplares similares