Bazı retinoidal bileşiklerin RXRα proteinine Doking çalışmaları

A.Selen GURKAN-ALP; Erdem BUYUKBINGOL

doi:https://doi.org/10.1501/Eczfak_0000000524

Article Details

Bazı retinoidal bileşiklerin RXRα proteinine Doking çalışmaları

Authors:

A.Selen GURKAN-ALP | Erdem BUYUKBINGOL

Publisher:

Ankara University

Journal:

Journal of Faculty of Pharmacy of Ankara University 2009 Vol.38 Issue 3, pp.155-166

Document Type:

Article

Publication Date:

8/2009

Document Language:

Turkish

Document ID (Org No.):

2000868190

Frequency:

Tri-annual

eISSN:

2564-6524

pISSN:

1015-3918

DOI:

https://doi.org/10.1501/Eczfak_0000000524

Keywords:

Abstract:

 

Docking studies of the previously synthesized retinoid analogues were performed using the AutoDock Tools - 1.5.4 in order to study the interactions between the retinoid compounds and RXR-alpha (RXRα) receptor protein. The RXRα receptor protein was taken from the Protein Databank in *.pdb format (3FUG). The binding energies of the interaction in different conformations were obtained and the best conformation fit was chosen for the representation of the each compound. Compound 17 appears as the most strongly linked molecule (∆G = -10.90 kcal/mol) to the RXRα receptor protein.

 

Retinoid türevleri ve RXR-alfa (RXRα) reseptör proteini arasındaki etkileşimleri incelemek için AutoDock Tools - 1.5.4 kullanılarak, önceki çalışmada sentezi gerçekleştirilen retinoid analoglarının doking çalışmaları yapılmıştır. RXRα reseptör proteini, Protein Veri Bankasından *.pdb formatında (3FUG) alınmıştır. Bileşiklerin farklı konformasyonlardaki etkileşiminin bağlanma enerjileri elde edilmiş ve her bir bileşiği temsilen en iyi uyumu veren konformasyon seçilmiştir. Bileşik 17, RXRα proteinine en güçlü bağlanan bileşik (∆G = -10.90 kcal/mol) olarak ortaya çıkmaktadır.

Article Details

Bazı retinoidal bileşiklerin RXRα proteinine Doking çalışmaları

Authors:

A.Selen GURKAN-ALP | Erdem BUYUKBINGOL

Publisher:

Ankara University

Journal:

Journal of Faculty of Pharmacy of Ankara University 2009 Vol.38 Issue 3, pp.155-166

Document Type:

Article

Publication Date:

8/2009

Document Language:

Turkish

Document ID (Org No.):

2000868190

Frequency:

Tri-annual

eISSN:

2564-6524

pISSN:

1015-3918

DOI:

https://doi.org/10.1501/Eczfak_0000000524

AutoDock Tools

Doking

Retinoid

RXR-α

Issues

Article Details

Bazı retinoidal bileşiklerin RXRα proteinine Doking çalışmaları

Authors: A.Selen GURKAN-ALP | Erdem BUYUKBINGOL

Publisher: Ankara University

Journal: Journal of Faculty of Pharmacy of Ankara University 2009 Vol.38 Issue 3, pp.155-166

Document Type: Article

Publication Date: 8/2009

Document Language: Turkish

Document ID (Org No.): 2000868190

Frequency: Tri-annual

eISSN: 2564-6524

pISSN: 1015-3918

DOI: https://doi.org/10.1501/Eczfak_0000000524

AutoDock Tools

Doking

Retinoid

RXR-α

Issues

Authors:

A.Selen GURKAN-ALP | Erdem BUYUKBINGOL

Publisher:

Ankara University

Journal:

Journal of Faculty of Pharmacy of Ankara University 2009 Vol.38 Issue 3, pp.155-166

Document Type:

Article

Publication Date:

8/2009

Document Language:

Turkish

Document ID (Org No.):

2000868190

Frequency:

Tri-annual

eISSN:

2564-6524

pISSN:

1015-3918

DOI:

https://doi.org/10.1501/Eczfak_0000000524