Docking Studies on the Binding Properties of Methotrexate to Human Serum Albumin

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Shalbafan m.; REZAEI BEHBEHANI G.

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Journal Paper

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Journal: Biomacromolecular Journal Year:2018 | Volume:4 | Issue:2 Page(s): 114-117

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Title

Docking Studies on the Binding Properties of Methotrexate to Human Serum Albumin

Author(s)

Shalbafan m. | REZAEI BEHBEHANI G. | Issue Writer Certificate

Keywords

Human serum albumin

Methotrexate

Docking

Thermodynamic parameters

Abstract

Human serum albumin (HSA) is one of the main endogenous vehicles for biodistribution of molecules by blood plasma. Association equilibrium constants and Thermodynamic parameters for the interaction of HSA with Methotrexate were studied by Docking. Docking study provides remarkable information on binding sites of HSA with drugs, estimating the binding parameters in some specific places on biomolecules. Docking study suggests that Methotrexate interacts with one lysine, two arginine, one Asparagine and one Glutamine residues, specifically. The Estimated of Gibbs free energies (Δ G° ) is equal to-52. 67 kJ mol-1 for the best model.

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APA: Copy

Shalbafan, m., & REZAEI BEHBEHANI, G.. (2018). Docking Studies on the Binding Properties of Methotrexate to Human Serum Albumin. BIOMACROMOLECULAR JOURNAL, 4(2), 114-117. SID. https://sid.ir/paper/753208/en

Vancouver: Copy

Shalbafan m., REZAEI BEHBEHANI G.. Docking Studies on the Binding Properties of Methotrexate to Human Serum Albumin. BIOMACROMOLECULAR JOURNAL[Internet]. 2018;4(2):114-117. Available from: https://sid.ir/paper/753208/en

IEEE: Copy

m. Shalbafan, and G. REZAEI BEHBEHANI, “Docking Studies on the Binding Properties of Methotrexate to Human Serum Albumin,” BIOMACROMOLECULAR JOURNAL, vol. 4, no. 2, pp. 114–117, 2018, [Online]. Available: https://sid.ir/paper/753208/en

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