Modeling of Opioid and Chemokine Receptors with Their Ligands
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Research Group
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These researchers coupled two molecules of methotrexate via a methylene linker. Characterization of this compound indicated a highly folded conformation in an aqueous environment. Hydrophobic collapse and internal hydrogen bonding may provide the necessary stability for our methotrexate dimer's three-dimensional structure. By utilizing molecular modeling software, the researchers hoped to gain a grasp of the linker's contribution to the compound's solution structure and thus predict the effect that a change in the linker may have on the methotrexate dimer's folded structure. The folded structure of methotrexate, free of any linker, was also investigated.
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Modeling of the solution structure of two methotrexate dimers that contain either a 9 or 12 methylene linker. |
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URL: http://www.msi.umn.edu/about/publications/annualreport/ar2001/depts/Pharmacy/wagner.html |
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