Tetrasiklin Antibiyotikleri ve Bromelain Enzimi Arasındaki Etkileşimlerin Kenetleme Araçları Kullanılarak İncelenmesi

Abstract

Ananas sapından ekstrakte edilen bromelain, farklı amaçlar için kullanılan kompleks bir enzimdir. Bromelain takviyeleri genellikle sindirimi kolaylaştırmak, dolaşım sistemini iyileştirmek ve ağrı kesici özelliğinden dolayı artrit semptomlarını hafifletmek için kullanılır. Ancak antibiyotik kullanımı veya kanama riski olan bazı durumlarda bromelain kullanımı veya doğrudan ananas tüketimi sınırlandırılmalıdır. Bu amaçla antibiyotik bromelain etkileşiminin hangi mekanizma ile gerçekleştiğini göstermek amacıyla bu çalışma yapılmıştır. İlk olarak UCSF Chimera görselleştirme programında bromelain molekülü ve demeklosiklin, minosiklin ve tetrasiklin antibiyotikleri hazırlanmıştır. Etkileşimler, Auto Dock Molecular Modeling Toolkit moleküler modelleme programında görüntülenmiştir. Bu etkileşimlerin serbest bağlanma enerjileri de Auto Dock'ta hesaplanmıştır. Moleküler modelleme sonuçlarına göre, bromelain ve demeklosiklin, minosiklin, tetrasiklin antibiyotikleri, hidrojen bağları ve hidrofobik etkileşimler ile etkileşime girmiştir. Bromelain ve antibiyotikler arasındaki bu etkileşimler, serbest bağlanma enerjisi hesaplamalarına dayalı olarak enerjisel olarak uygun bulunmuştur.

Keywords

• Bromelain
• Moleküler kenetleme
• Demeklosiklin
• Minosiklin
• Tetrasiklin

Project Number

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Investigation of Interactions Between Tetracycline Antibiotics and Bromelain Enzyme Using Docking Tools

Abstract

Bromelain, extracted from the stem of the pineapple, is a complex enzyme used for different purposes. Bromelain supplements are often used to facilitate digestion, improve the circulatory system and relieve arthritis symptoms due to its pain relief. However, in some cases where there is a risk of antibiotic use or bleeding, the use of bromelain or direct consumption of pineapple should be limited. For this purpose, this study was carried out to show the mechanism by which the antibiotic bromelain interaction occurs. Firstly, the bromelain molecule and demeclocycline, minocycline, and tetracycline antibiotics were prepared in the UCSF Chimera visualizing program. The interactions were monitored in the Auto Dock Molecular Modelling Toolkit molecular modeling program. The free binding energies of these interactions were also calculated in Auto Dock. According the molecular modelling results, bromelain and demeclocycline, minocycline, tetracycline antibiotics were interact with hydrogen bonds and hydrophobic interactions. These interactions between bromelain and antibiotics were energetically favorable based on free binding energy calculations.

Keywords

• Bromelain
• molecular docking
• demeclocycline
• minocycline
• tetracycline

Supporting Institution

Çalışma için herhangi bir resmi yada özel kurum/şahıstan destek alınmamıştır.

Project Number

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Thanks

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