WO2002068933A3 - Conception de petites molecules efficaces contre des mutants resistants aux medicaments au moyen d'evolution dirigee - Google Patents
Conception de petites molecules efficaces contre des mutants resistants aux medicaments au moyen d'evolution dirigee Download PDFInfo
- Publication number
- WO2002068933A3 WO2002068933A3 PCT/US2002/006238 US0206238W WO02068933A3 WO 2002068933 A3 WO2002068933 A3 WO 2002068933A3 US 0206238 W US0206238 W US 0206238W WO 02068933 A3 WO02068933 A3 WO 02068933A3
- Authority
- WO
- WIPO (PCT)
- Prior art keywords
- drug
- sep
- target protein
- variant
- protein
- Prior art date
Links
Classifications
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07K—PEPTIDES
- C07K1/00—General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length
- C07K1/04—General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length on carriers
- C07K1/047—Simultaneous synthesis of different peptide species; Peptide libraries
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
- G16B15/30—Drug targeting using structural data; Docking or binding prediction
-
- C—CHEMISTRY; METALLURGY
- C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
- C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
- C12N9/00—Enzymes; Proenzymes; Compositions thereof; Processes for preparing, activating, inhibiting, separating or purifying enzymes
- C12N9/14—Hydrolases (3)
- C12N9/78—Hydrolases (3) acting on carbon to nitrogen bonds other than peptide bonds (3.5)
- C12N9/86—Hydrolases (3) acting on carbon to nitrogen bonds other than peptide bonds (3.5) acting on amide bonds in cyclic amides, e.g. penicillinase (3.5.2)
-
- C—CHEMISTRY; METALLURGY
- C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
- C12Y—ENZYMES
- C12Y305/00—Hydrolases acting on carbon-nitrogen bonds, other than peptide bonds (3.5)
- C12Y305/02—Hydrolases acting on carbon-nitrogen bonds, other than peptide bonds (3.5) in cyclic amides (3.5.2)
- C12Y305/02006—Beta-lactamase (3.5.2.6)
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/50—Molecular design, e.g. of drugs
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07K—PEPTIDES
- C07K2299/00—Coordinates from 3D structures of peptides, e.g. proteins or enzymes
Landscapes
- Chemical & Material Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- Health & Medical Sciences (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Cheminformatics (AREA)
- General Health & Medical Sciences (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Physics & Mathematics (AREA)
- Organic Chemistry (AREA)
- Medicinal Chemistry (AREA)
- Theoretical Computer Science (AREA)
- Biophysics (AREA)
- Crystallography & Structural Chemistry (AREA)
- Bioinformatics & Computational Biology (AREA)
- Biotechnology (AREA)
- Genetics & Genomics (AREA)
- Biochemistry (AREA)
- Pharmacology & Pharmacy (AREA)
- Medical Informatics (AREA)
- Evolutionary Biology (AREA)
- Zoology (AREA)
- Wood Science & Technology (AREA)
- Molecular Biology (AREA)
- General Engineering & Computer Science (AREA)
- Biomedical Technology (AREA)
- Microbiology (AREA)
- Proteomics, Peptides & Aminoacids (AREA)
- Analytical Chemistry (AREA)
- Computing Systems (AREA)
- Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
- Investigating Or Analysing Biological Materials (AREA)
Abstract
Priority Applications (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
AU2002254077A AU2002254077A1 (en) | 2001-02-28 | 2002-02-27 | Small molecule design against drug resistant mutants using directed evolution |
Applications Claiming Priority (2)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US27224801P | 2001-02-28 | 2001-02-28 | |
US60/272,248 | 2001-02-28 |
Publications (2)
Publication Number | Publication Date |
---|---|
WO2002068933A2 WO2002068933A2 (fr) | 2002-09-06 |
WO2002068933A3 true WO2002068933A3 (fr) | 2002-11-21 |
Family
ID=23039020
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
PCT/US2002/006238 WO2002068933A2 (fr) | 2001-02-28 | 2002-02-27 | Conception de petites molecules efficaces contre des mutants resistants aux medicaments au moyen d'evolution dirigee |
Country Status (2)
Country | Link |
---|---|
AU (1) | AU2002254077A1 (fr) |
WO (1) | WO2002068933A2 (fr) |
Families Citing this family (10)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US20030027315A1 (en) * | 2001-09-24 | 2003-02-06 | Ada Yonath | Methods of growing crystals of free and antibiotic complexed large ribosomal subunits, and methods of rationally designing or identifying antibiotics using structure coordinate data derived from such crystals |
DK1558730T3 (da) * | 2002-10-29 | 2008-05-26 | Boehringer Ingelheim Int | Inhibitorresistent HCV-NS3-protease |
CN1894276B (zh) | 2003-10-27 | 2010-06-16 | 威特克斯医药股份有限公司 | Hcv ns3-ns4a蛋白酶抗药性突变体 |
WO2005043118A2 (fr) | 2003-10-27 | 2005-05-12 | Vertex Pharmaceuticals Incorporated | Methode de decouverte de medicament |
CA2589920A1 (fr) * | 2004-12-06 | 2006-06-15 | Emory University | Inhibiteurs a petites molecules d'adn-methyltransferases (dam) bacteriennes |
US7705138B2 (en) | 2005-11-11 | 2010-04-27 | Vertex Pharmaceuticals Incorporated | Hepatitis C virus variants |
WO2015002860A1 (fr) * | 2013-07-02 | 2015-01-08 | Epigenetx, Llc | Modélisation basée sur la structure et prédiction de sélectivité cible |
WO2015007487A1 (fr) * | 2013-07-17 | 2015-01-22 | Siemens Aktiengesellschaft | Procédé et système de détermination d'une résistance bactérienne à un antibiotique |
CN112269795B (zh) * | 2020-10-31 | 2022-05-13 | 武汉中海庭数据技术有限公司 | 一种nds数据快速测试和验证的方法 |
WO2024140625A1 (fr) * | 2022-12-28 | 2024-07-04 | 舒泰神(北京)生物制药股份有限公司 | Procédé de criblage et/ou d'identification d'un site mutable dans ngf, et procédé de criblage et/ou d'identification d'un mutant de ngf |
Citations (3)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US4461619A (en) * | 1981-12-29 | 1984-07-24 | Medical College Of Georgia Research Inst. | Method of predicting biological activity of compounds by nucleic acid models |
US5837500A (en) * | 1988-09-02 | 1998-11-17 | Dyax, Corp. | Directed evolution of novel binding proteins |
US6174678B1 (en) * | 1998-10-23 | 2001-01-16 | Small Molecule Therapeutics, Inc. | Methods and compositions for modulation of bacterial topoisomerase enzymes |
-
2002
- 2002-02-27 AU AU2002254077A patent/AU2002254077A1/en not_active Abandoned
- 2002-02-27 WO PCT/US2002/006238 patent/WO2002068933A2/fr not_active Application Discontinuation
Patent Citations (3)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US4461619A (en) * | 1981-12-29 | 1984-07-24 | Medical College Of Georgia Research Inst. | Method of predicting biological activity of compounds by nucleic acid models |
US5837500A (en) * | 1988-09-02 | 1998-11-17 | Dyax, Corp. | Directed evolution of novel binding proteins |
US6174678B1 (en) * | 1998-10-23 | 2001-01-16 | Small Molecule Therapeutics, Inc. | Methods and compositions for modulation of bacterial topoisomerase enzymes |
Non-Patent Citations (2)
Title |
---|
GREER ET AL.: "Application of the three-dimensional structures of protein target molecules in structure-based drug design", JOURNAL OF MEDICINAL CHEMISTRY, vol. 37, no. 8, 15 April 1994 (1994-04-15), pages 1035 - 1054, XP002116744 * |
KNEGTEL ET AL.: "Molecular docking to ensembles of protein structures", JOURNAL OF MOLECULAR BIOLOGY, vol. 266, no. 2, 21 February 1997 (1997-02-21), pages 424 - 440, XP002941898 * |
Also Published As
Publication number | Publication date |
---|---|
AU2002254077A1 (en) | 2002-09-12 |
WO2002068933A2 (fr) | 2002-09-06 |
Similar Documents
Publication | Publication Date | Title |
---|---|---|
Thomas et al. | Structural bases for stability–function tradeoffs in antibiotic resistance | |
Henes et al. | Picomolar to micromolar: elucidating the role of distal mutations in HIV-1 protease in conferring drug resistance | |
US20100022584A1 (en) | Modulation of Glutamine Synthetase Activity | |
Zhang et al. | Structural and functional studies of fatty acyl adenylate ligases from E. coli and L. pneumophila | |
Kleinboelting et al. | Structural analysis of human soluble adenylyl cyclase and crystal structures of its nucleotide complexes–implications for cyclase catalysis and evolution | |
Singh et al. | The evolution of cefotaximase activity in the TEM β-lactamase | |
WO2002068933A3 (fr) | Conception de petites molecules efficaces contre des mutants resistants aux medicaments au moyen d'evolution dirigee | |
Wang et al. | Structural characterization of free-state and product-state Mycobacterium tuberculosis methionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism | |
Dabos et al. | Substrate Specificity of OXA-48 after β5− β6 Loop Replacement | |
Moiani et al. | An efficient chemical screening method for structure-based inhibitors to nucleic acid enzymes targeting the DNA repair-replication interface and SARS CoV-2 | |
US6921653B2 (en) | Crystalline UDP-glycosyl transferase (MurG) and methods of use thereof | |
US7079956B2 (en) | Crystal structure of antibiotics bound to the 30S ribosome and its use | |
Kumari et al. | Structural analysis of EhPSP in complex with 3-phosphoglyceric acid from Entamoeba histolytica reveals a basis for its lack of phosphoglycerate mutase activity | |
de Souza Neto et al. | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni | |
Singh et al. | Structural and biochemical characterization of the nucleoside hydrolase from C. elegans reveals the role of two active site cysteine residues in catalysis | |
US6631329B1 (en) | Use of the crystal structure of Staphylococcus aureus isoleucyl-tRNA synthetase in antibiotic design | |
EP1573000B1 (fr) | Structure cristalline de glutamate racemase (muri) | |
Santos et al. | Structural and biochemical characterization of Leptospira interrogans Lsa45 reveals a penicillin-binding protein with esterase activity | |
US8095350B2 (en) | Three-dimensional structure of the APOBEC 2 structure, uses thereof, and methods for treating chronic and infectious diseases | |
Bihani et al. | Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S | |
Basu et al. | Cefiderocol susceptibility endows hope in treating carbapenem-resistant Pseudomonas aeruginosa: insights from in vitro and in silico evidence | |
WO2011160126A2 (fr) | Riborégulateurs s-adénosyl-(l)-homocystéine (sah) et compositions et utilisations correspondantes | |
Pavithra et al. | Crystal structures of APRT from Francisella tularensis–an N–H··· N hydrogen bond imparts adenine specificity in adenine phosporibosyltransferases | |
Craig III et al. | Structure-based inhibitor design | |
US7127357B1 (en) | Crystal structure of WW domains and methods of use thereof |
Legal Events
Date | Code | Title | Description |
---|---|---|---|
AK | Designated states |
Kind code of ref document: A3 Designated state(s): 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 |
|
AL | Designated countries for regional patents |
Kind code of ref document: A3 Designated state(s): GH GM KE LS MW MZ SD SL SZ TZ UG ZM ZW AM AZ BY KG KZ MD RU TJ TM AT BE CH CY DE DK ES FI FR GB GR IE IT LU MC NL PT SE TR BF BJ CF CG CI CM GA GN GQ GW ML MR NE SN TD TG |
|
DFPE | Request for preliminary examination filed prior to expiration of 19th month from priority date (pct application filed before 20040101) | ||
121 | Ep: the epo has been informed by wipo that ep was designated in this application | ||
REG | Reference to national code |
Ref country code: DE Ref legal event code: 8642 |
|
122 | Ep: pct application non-entry in european phase | ||
NENP | Non-entry into the national phase |
Ref country code: JP |
|
WWW | Wipo information: withdrawn in national office |
Country of ref document: JP |