Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method

Çiğdem KARABACAK ATAY, (Mehmet Akif Ersoy Üniversitesi, Eğitim Fakültesi, Temel Eğitim Bölümü)
Tahir TİLKİ, (Süleyman Demirel Üniversitesi, Fen-Edebiyat Fakültesi, Kimya Bölümü)
Bülent DEDE (Süleyman Demirel Üniversitesi, Fen-Edebiyat Fakültesi, Kimya Bölümü)
Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi
3 0
Yıl: 2019 Cilt: 14 Sayı: 1 Sayfa Aralığı: 150 - 154 Metin Dili: İngilizce DOI: 10.29233/sdufeffd.544174 İndeks Tarihi: 28-04-2021

Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method

Öz:
In this study, molecular docking studies were applied to three azo dyes, 2-[(3,5diamino-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid (A), 2-[(3,5-dimethyl-1H-pyrazol-4yl)diazenyl]-5-nitrobenzoic acid (B) and 2-[(5-amino-3-methyl-1H-pyrazol-4-yl)diazenyl]-5nitrobenzoic acid (C), which synthesized in our previous studies, to investigate their potential antibacterial properties. Modelling was performed on SwissDock web server using EADock DSS algorithm. Docking simulations of ligands (A, B and C) were performed into the E. coli betaketoacyl-acyl carrier protein synthase III (KAS III) active site to determine the probable binding conformations and inhibitory effects. Docking results were also compared with triclosan used as a commercial antibacterial agent and it was found that compound B had the best antibacterial property.
Anahtar Kelime:

Moleküler Docking Yöntemi ile Bazı Azo Bileşiklerinin Potansiyel Antibakteriyel Özelliklerinin İncelenmesi

Öz:
Bu çalışmada, önceki çalışmalarımızda sentezlediğimizüç azo boyarmaddenin, 2 - [(3,5diamino-1H-pirazol-4-il)diazenil]-5-nitrobenzoik asit (A), 2-[(3,5)-dimetil-1H-pirazol-4-il) diazenil]-5-nitrobenzoik asit (B) ve 2-[(5-amino-3-metil-1H-pirazol-4-il) diazenil]-5nitrobenzoik asit (C), potansiyel antibakteriyel özelliklerini araştırmak için moleküler doking çalışmaları yapıldı. Modelleme, SwissDock web sunucusunda EADock DSS algoritması kullanılarak gerçekleştirildi. Olası bağlanma konformasyonları ve inhibe edici etkileri belirlemek için E. coli beta-ketoaçil-açil taşıyıcı protein sentaz III (KAS III) aktif bölgesine ligandların (A, B ve C) bağlanma simülasyonları yapıldı. Doking sonuçları ayrıca ticari bir antibakteriyel madde olarak kullanılan triklosan ile karşılaştırıldı ve B bileşiğinin en iyi antibakteriyel özelliğe sahip olduğu bulundu.
Anahtar Kelime:

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık
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APA ATAY Ç, Tilki T, DEDE B (2019). Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. , 150 - 154. 10.29233/sdufeffd.544174
Chicago ATAY Çiğdem KARABACAK,Tilki Tahir,DEDE Bülent Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. (2019): 150 - 154. 10.29233/sdufeffd.544174
MLA ATAY Çiğdem KARABACAK,Tilki Tahir,DEDE Bülent Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. , 2019, ss.150 - 154. 10.29233/sdufeffd.544174
AMA ATAY Ç,Tilki T,DEDE B Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. . 2019; 150 - 154. 10.29233/sdufeffd.544174
Vancouver ATAY Ç,Tilki T,DEDE B Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. . 2019; 150 - 154. 10.29233/sdufeffd.544174
IEEE ATAY Ç,Tilki T,DEDE B "Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method." , ss.150 - 154, 2019. 10.29233/sdufeffd.544174
ISNAD ATAY, Çiğdem KARABACAK vd. "Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method". (2019), 150-154. https://doi.org/10.29233/sdufeffd.544174
APA ATAY Ç, Tilki T, DEDE B (2019). Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi, 14(1), 150 - 154. 10.29233/sdufeffd.544174
Chicago ATAY Çiğdem KARABACAK,Tilki Tahir,DEDE Bülent Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi 14, no.1 (2019): 150 - 154. 10.29233/sdufeffd.544174
MLA ATAY Çiğdem KARABACAK,Tilki Tahir,DEDE Bülent Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi, vol.14, no.1, 2019, ss.150 - 154. 10.29233/sdufeffd.544174
AMA ATAY Ç,Tilki T,DEDE B Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi. 2019; 14(1): 150 - 154. 10.29233/sdufeffd.544174
Vancouver ATAY Ç,Tilki T,DEDE B Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method. Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi. 2019; 14(1): 150 - 154. 10.29233/sdufeffd.544174
IEEE ATAY Ç,Tilki T,DEDE B "Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method." Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi, 14, ss.150 - 154, 2019. 10.29233/sdufeffd.544174
ISNAD ATAY, Çiğdem KARABACAK vd. "Investigation of Potential Antibacterial Properties of Some Azo Compounds by Molecular Docking Method". Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi 14/1 (2019), 150-154. https://doi.org/10.29233/sdufeffd.544174
Sayfa Oluşturulma Tarihi
23-04-2024 17:13

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