Study of Molecular Mechanism of the Interaction Between MEK1/2 and Trametinib with Docking and Molecular Dynamic Simulation

In this study, the focus of investigation was the mechanism of the interaction between trametinib and MEK1/2 via computational simulation. To specify the best interaction site of inhibitor with MEK1/2 based on the interaction energy ranking, first we performed a docking and then we studied the interactions of the  ATP-bound MEK with trametinib, with RAF and the complex of the ATP-bound MEK–trametinib with RAF via molecular dynamic simulations. The results showed that trametinib inactivates the enzyme by bonding to a group of amino acids including Lys97/101, SER218/216, Asp208/212, and Met143/147 in MEK1/ 2. By bonding to the essential amino acids, trametinib inhibits the activity of the enzyme. All in all, the acquired results can be of great use in designing new inhibitors.
Source: Interdisciplinary Sciences, Computational Life Sciences - Category: Bioinformatics Source Type: research

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(American Cancer Society) A new study finds a wide state-by-state variation in rates of melanoma caused by ultraviolet (UV) exposure with highest rates in several states on the East and West Coast including Hawaii, but also a few landlocked states, including Utah, Vermont, and Minnesota.
Source: EurekAlert! - Cancer - Category: Cancer & Oncology Source Type: news
Source: Cancer Management and Research - Category: Cancer & Oncology Tags: Cancer Management and Research Source Type: research
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Source: Carbohydrate Polymers - Category: Biomedical Science Source Type: research
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Source: Clinical and Translational Oncology - Category: Cancer & Oncology Source Type: research
British Journal of Cancer, Published online: 17 February 2020; doi:10.1038/s41416-020-0751-8T-type calcium channel inhibition restores sensitivity to MAPK inhibitors in de-differentiated and adaptive melanoma cells
Source: British Journal of Cancer - Category: Cancer & Oncology Authors: Source Type: research
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Source: British Journal of Cancer - Category: Cancer & Oncology Authors: Source Type: research
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Source: Cancers - Category: Cancer & Oncology Authors: Tags: Article Source Type: research
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Source: Revista Espanola de Enfermedades Digestivas - Category: Gastroenterology Tags: Rev Esp Enferm Dig Source Type: research
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Source: Revista Espanola de Enfermedades Digestivas - Category: Gastroenterology Tags: Rev Esp Enferm Dig Source Type: research
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Source: Archives of Medical Science - Category: General Medicine Tags: Arch Med Sci Source Type: research
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