Compounds and pharmaceutical compositions for the treatment...

C - Chemistry – Metallurgy – 07 – K

Patent

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C07K 5/06 (2006.01) A61K 31/70 (2006.01) C07D 335/02 (2006.01) C07F 9/6568 (2006.01) C07H 1/00 (2006.01) C07H 15/02 (2006.01) C07H 15/18 (2006.01) C07H 23/00 (2006.01) G01N 33/566 (2006.01) G01N 33/68 (2006.01)

Patent

CA 2176808

Novel methods for the treatment and/or prophylaxis of diseases caused by tissue-adhering bacteria are disclosed. By interacting with periplasmic molecular chaperones it is achieved that the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished. Also disclosed are methods for screening for drugs as well as methods for the de novo design of such drugs, methods which rely on novel computer drug modelling methods involving an approximative calculation of binding free energy between macromolecules. Finally, novel pyranosides which are believed to be capable of interacting with periplasmic molecular chaperones are also disclosed.

Nouveaux procédés de traitement et/ou de prophylaxie de maladies causées par des bactéries adhérant aux tissus. En interagissant avec des chaperonnes moléculaires périplasmiques, on empêche ou on inhibe l'assemblage de pili, ce qui réduit le pouvoir infectant de la bactérie. Des procédés de criblage de médicaments ainsi que des procédés de conception de novo desdits médicaments, des procédés qui s'appuient sur de nouvelles méthodes de modelage informatique de médicaments incluant un calcul approximatif de l'énergie de liaison libre entre des macromolécules sont également décrits. Enfin, de nouveaux pyranosides que l'on pense capables d'interagir avec des chaperonnes moléculaires périplasmiques sont encore décrits.

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