Assertion: adenosine | /r/HasProperty | a ¾ receptor
Facets:
Source sentences:
text: Accordingly, a third aspect of the invention provides a method for selecting or designing one or more binding partners of adenosine A ¾ receptor comprising using molecular modelling means to select or design one or more binding partners of the adenosine A2A receptor, wherein the three-dimensional structural representation of at least part of the human adenosine A2A receptor, as defined by the coordinates of adenosine A2A receptor of Table (i), optionally varied by a root mean square deviation of residue backbone atoms of not more than 1.08 A, or selected coordinates thereof, is compared with a three-dimensional structural representation of one or more candidate binding partners, and one or more binding partners that are predicted to interact with adenosine A2A receptor are selected.
text: Thus in a further embodiment of the third and fourth aspects of the invention, the methods further comprise the steps of obtaining or synthesising the one or more binding partners of an adenosine A¾ receptor; forming one or more complexes of the adenosine A¾ receptor and the one or more binding partners; and analysing the one or more complexes by X-ray crystallography to determine the ability of the one or more binding partners to interact with adenosine A¾ receptor.
text: Thus the invention includes a method for the analysis of the interaction of one or more binding partners with adenosine A ¾ receptor comprising (a) constructing a computer representation of a binding region of the adenosine A2A receptor as defined by the coordinates of the human adenosine A ¾ receptor of Table (i), optionally varied by a root mean square deviation of residue backbone atoms of not more than 1.08 A, or selected coordinates thereof (b) selecting a binding partner to be evaluated by a method selected from the group consisting of assembling said binding partner; selecting a binding partner from a small molecule database; de novo ligand design of the binding partner; and modifying a known agonist or inhibitor, or a portion thereof, of an adenosine A ¾ receptor or homologue thereof; (c) employing computational means to dock said binding partner to be evaluated in a binding region in order to provide an energy-minimized configuration of the binding partner in a binding region; and (d) evaluating the results of said docking to quantify the interaction energy between said binding partner and the binding region.
text: Therefore, determination of the adenosine A ¾ receptor structure also allows difference Fourier electron density maps of adenosine A ¾ receptor -binding partner complexes to be produced, determination of the binding position of the binding partner and hence may greatly assist the process of rational drug design.