The effect of gold nanoparticles on the inhibition of BCR-ABL protein as a leukemia factor using molecular docking method

Mohammad Ali Mansouri, Mohammad; Hemmati Nasab, Motahhareh; Karim Pour, Masoumeh; Rezvani Mehr, Mehdi

doi:10.61186/CNJ.2.3.382

The effect of gold nanoparticles on the inhibition of BCR-ABL protein as a leukemia factor using molecular docking method

Document Type : Original Article

Authors

Mohammad Mohammad Ali Mansouri

Motahhareh Hemmati Nasab

Masoumeh Karim Pour

Mehdi Rezvani Mehr

Department of Biology, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz, Iran

10.61186/CNJ.2.3.382

Abstract

Blood cancer, also known as leukemia, is a type of cancer that affects blood cells and bone marrow, leading to abnormal production of blood cells. It is one of the most common types of cancer in children and adults, and its prevalence has increased in recent years, so that in some regions, leukemia has emerged as a public health challenge and has increased the need for attention and targeted treatments. The BCR-ABL protein, which is known as an oncogene, plays a key role in the pathogenesis of chronic myeloid leukemia. This paper investigates the molecular docking of gold nanoparticles on the BCR-ABL protein as an effective agent in the treatment of leukemia. In this study, schrodinger PyMOL 2.5.5 software was used to perform molecular docking. The gold nanoparticles and BCR-ABL protein molecules were designed and extracted using the RCSB and PubChem databases. The results show that gold nanoparticles are able to successfully dock with the BCR-ABL protein. This interaction is achieved by hydrogen bonds, electrostatic interactions, and van der Waals forces. The findings suggest that gold nanoparticles can act as an effective inhibitory agent in the treatment of leukemia by targeting the BCR-ABL protein, and further research is needed to evaluate the clinical effects of these nanoparticles in targeted therapies.

Keywords

Bioinformatics

Gold nanoparticles

Molecular docking

Leukemia

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