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1. (WO2003002063) STRUCTURE-BASED DRUG DESIGN METHODS FOR IDENTIFYING D-ALA-D-ALA LIGASE INHIBITORS AS ANTIBACTERIAL DRUGS
Latest bibliographic data on file with the International Bureau   

Pub. No.:    WO/2003/002063    International Application No.:    PCT/US2002/020465
Publication Date: 09.01.2003 International Filing Date: 28.06.2002
Chapter 2 Demand Filed:    27.01.2003    
IPC:
C12N 9/00 (2006.01)
Applicants: ESSENTIAL THERAPEUTICS, INC. [US/US]; 1365 Main Street, Waltham, MA 02451-1624 (US) (For All Designated States Except US).
PLIVA, D., D. [HR/HR]; (HR) (For All Designated States Except US).
NAVIA, Manuel, A. [US/US]; (US) (For US Only).
ALA, Paul, J. [CA/US]; (US) (For US Only).
GRIFFITH, James, P. [US/US]; (US) (For US Only).
ALI, Janid, A. [GB/US]; (US) (For US Only).
FAERMAN, Carlos, H. [US/US]; (US) (For US Only).
MOE, Scott, T. [US/US]; (US) (For US Only).
MAGEE, Andrew, S. [US/US]; (US) (For US Only).
CONNELLY, Patrick, R. [US/US]; (US) (For US Only).
PEROLA, Emanuele [IT/US]; (US) (For US Only)
Inventors: NAVIA, Manuel, A.; (US).
ALA, Paul, J.; (US).
GRIFFITH, James, P.; (US).
ALI, Janid, A.; (US).
FAERMAN, Carlos, H.; (US).
MOE, Scott, T.; (US).
MAGEE, Andrew, S.; (US).
CONNELLY, Patrick, R.; (US).
PEROLA, Emanuele; (US)
Agent: ESSENTIAL THERAPEUTICS, INC.; 78 4th Avenue, Waltham, MA 02451 (US)
Priority Data:
60/301,676 28.06.2001 US
Title (EN) STRUCTURE-BASED DRUG DESIGN METHODS FOR IDENTIFYING D-ALA-D-ALA LIGASE INHIBITORS AS ANTIBACTERIAL DRUGS
(FR) PROCEDES DE DEVELOPPEMENT DE MEDICAMENTS SUR LA BASE DE LA STRUCTURE DESTINES A IDENTIFIER DES INHIBITEURS DE D-ALA-D-ALA LIGASE EN TANT QU'AGENTS ANTIBACTERIENS
Abstract: front page image
(EN)The invention is based on the discovery that certain small molecules can bind to the ATP binding site of D-Ala-D-Ala ligase, even in the absence of the enzyme's substrate, and can cause a conformational change in the enzyme structure similar to that which occurs upon binding of ATP and substrate to the enzyme. Without wishing to be bound by any theory, it is believed that such a conformational change is required for either activation or inhibition of the enzyme. The information obtained from this discovery has enabled identification of key interactions in the active site of the enzyme, as well as the design and opimization of inhibitors.
(FR)Selon l'invention, on a déterminé que certaines petites molécules peuvent se lier au site de liaison d'ATP de D-Ala-D-Ala ligase, même en l'absence du substrat de l'enzyme, et peuvent provoquer dans la structure de l'enzyme une modification de la conformation similaire à celle survenant lors de la liaison d'ATP et du substrat à l'enzyme. Indépendamment de toute théorie, la présente invention énonce qu'une telle modification de la conformation est nécessaire à l'activation ou à l'inhibition de l'enzyme. Ainsi, la présente invention a permis d'identifier des interactions clé dans le site actif de l'enzyme, et de développer et d'optimiser des inhibiteurs.
Designated States: AE, AG, AL, AM, AT, AU, AZ, BA, BB, BG, BR, BY, BZ, CA, CH, CN, CO, CR, CU, CZ, DE, DK, DM, DZ, EC, EE, ES, FI, GB, GD, GE, GH, GM, HR, HU, ID, IL, IN, IS, JP, KE, KG, KP, KR, KZ, LC, LK, LR, LS, LT, LU, LV, MA, MD, MG, MK, MN, MW, MX, MZ, NO, NZ, OM, PH, PL, PT, RO, RU, SD, SE, SG, SI, SK, SL, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VN, YU, ZA, ZM, ZW.
African Regional Intellectual Property Organization (GH, GM, KE, LS, MW, MZ, SD, SL, SZ, TZ, UG, ZM, ZW)
Eurasian Patent Organization (AM, AZ, BY, KG, KZ, MD, RU, TJ, TM)
European Patent Office (AT, BE, CH, CY, DE, DK, ES, FI, FR, GB, GR, IE, IT, LU, MC, NL, PT, SE, TR)
African Intellectual Property Organization (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, ML, MR, NE, SN, TD, TG).
Publication Language: English (EN)
Filing Language: English (EN)