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Ghozaly, Muchammad R.
Universitas Padjadjaran, Indonesia
Medicine & Pharmacology

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Binding Modes of Doxorubicin Compared to Estratetrol and Tamoxifen Ghozaly, Muchammad R.; Febrina, Ellin; Zaenudin, Achmad
Pharmacology and Clinical Pharmacy Research Vol 2, No 1
Publisher : Universitas Padjadjaran, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (264.283 KB) | DOI: 10.15416/pcpr.v2i1.16215

Abstract

Doxorubicin, a compound isolated from Streptomyces peucetius var Caesius, is commonlyused in the treatment of breast cancer. This drug works by interacting on human nucleicacids. This work was aimed to study the binding modes of doxorubicin with estrogen receptoralpha (ERα). Estratetrol and tamoxifen were used as natural ligand and standard drug,respectively. Molecular docking simulations was performed by AutoDock v.3.05 using minimumcoordinates -34, -6, -15 (x, y, z) and the maximum coordinates -13, 13, 3 (x, y, z).Tamoxifen formed one hydrogen bond with Glu353 (Ki=3.78 μM); estratetrol binds to Glu-353, Arg394, Gly521, and His524 (Ki=0.01 μM). Doxorubicin only formed one hydrogenbond with Ser317 (Ki=N/A). In conclusion, doxorubicin could not interact appropriatelywith ERα due to its voluminioues structure which hinder its entrance to binding pocket ofthe macromolecule.Keywords: doxorubicin, estrogen receptor alpha.
Co-Authors Ellin Febrina Zaenudin, Achmad