Method of predicting the ability of compounds to modulate...

C - Chemistry – Metallurgy – 40 – B

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Details

C40B 30/04 (2006.01) C07K 7/08 (2006.01) C12Q 1/68 (2006.01) G01N 33/566 (2006.01) G01N 33/74 (2006.01)

Patent

CA 2329738

The ability of a query compound to modulate the biological activity of a receptor in a multicellular organism is predicted on the basis of its interaction with that receptor in the presence of various member of a panel of BioKeys. The BioKeys are ligands, especially peptides or nucleic acids, known to modify the conformation of the receptor. This interaction data, known as a "fingerprint", is compared to the fingerprints for reference compounds with known biological activities mediated by that receptor. In the "molecular braille" (MB) embodiment of the present invention, the reference and test fingerprints are based on in vitro (cell-free) assays. In the "cellular-braille" (CB) embodiment of the present invention, the reference and test fingerprints are based on cellular assays (but not on assays of whole multicellular organisms, or their organs or tissues).

La présente invention permet de prévoir l'aptitude d'un composé d'intérêt à moduler l'activité biologique d'un récepteur dans un organisme multicellulaire à partir de son interaction avec ledit récepteur en présence de divers membres d'un groupe de bio-clés. Les bio-clés sont des ligands, en particulier des peptides ou des acides nucléiques, connus pour modifier la conformation du récepteur. Ces données d'interaction constituent ce que l'on appelle une "empreinte digitale", qui est comparée aux empreintes de composés de référence aux activités biologiques connues et dont le récepteur assure la médiation. Dans la réalisation dite "en braille moléculaire" de la présente invention, les empreintes digitales de référence et de test sont basées sur des essais in vitro (acellulaires). Dans la réalisation dite "en braille cellulaire" de la présente invention, les empreintes digitales de référence et de test sont basées sur des essais cellulaires (mais non pas sur des essais d'organismes multicellulaires complets, ou de leurs organes ou tissus).

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