Protein-protein interactions in drug discovery:
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Weinheim
Wiley-VCH-Verl.
2013
|
| Schriftenreihe: | Methods and principles in medicinal chemistry
56 |
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | Literaturangaben |
| Beschreibung: | XXI, 314 S. graph. Darst. 25 cm |
| ISBN: | 9783527331079 3527331077 |
Internformat
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| 245 | 1 | 0 | |a Protein-protein interactions in drug discovery |c ed. by Alexander Dömling |
| 264 | 1 | |a Weinheim |b Wiley-VCH-Verl. |c 2013 | |
| 300 | |a XXI, 314 S. |b graph. Darst. |c 25 cm | ||
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| 490 | 1 | |a Methods and principles in medicinal chemistry |v 56 | |
| 500 | |a Literaturangaben | ||
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Datensatz im Suchindex
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IMAGE 1
CONTENTS
LIST O F CONTRIBUTORS X I PREFACE X V
A PERSONAL FOREWORD XVII
1 PROTEIN-PROTEIN INTERACTIONS: AN OVERVIEW 1
CHRISTIAN O T T M A N N
1.1 INTRODUCTION 1
1.2 ROLE O F PPIS IN H U M A N PHYSIOLOGY 2
1.3 REGULATION O F PPIS 3
1.4 STRUCTURAL FEATURES O F PPI INTERFACES 3
1.4.1 INOS HOMODIMER 5
1.4.2 [}-CATENIN/TCF4 COMPLEX 5 1.4.3 LEDGF/HIV-IN COMPLEX 6 1.4.4 H P V
E1/E2 COMPLEX 7
1.4.5 IFN-OT/IFNAR COMPLEX 8
1.4.6 TNF-A TRIMER 9
1.5 IDENTIFICATION O F PPI INHIBITORS 10
1.6 CONCLUSIONS AND OUTLOOK 13
REFERENCES 14
2 PREDICTION O F INTRA- AND INTERSPECIES PROTEIN-PROTEIN INTERACTIONS
FACILITATING SYSTEMS BIOLOGY STUDIES 21 SYLVIA SCHLEKER, SESHAN
ANANTHASUBRAMANIAN, JUDITH KLEIN-SEETHARAMAN, A N D MADHAVI K.
CANAPATHIRAJU
2.1 INTRODUCTION: RELEVANCE O F INTERACTOME STUDIES TO DISEASE AND DRUG
DISCOVERY 21 2.2 O U R CURRENT KNOWLEDGE O F INTERACTOMES IDENTIFIED
FROM EXPERIMENTS IS INCOMPLETE 23
2.3 RELIABILITY O F INTERACTIONS IDENTIFIED EXPERIMENTALLY 24 2.4
COMPUTATIONAL METHODS FOR PPI PREDICTION 27
2.4.1 CONSERVATION O F GENE NEIGHBORHOOD 2 7 2.4.2 GENE FUSION 2 8
2.4.3 SEQUENCE-BASED COEVOLUTION 28
HTTP://D-NB.INFO/1022181386
IMAGE 2
V I CONTENTS
2.4.4 PHYLOGENETIC PROFILING 28
2.4.5 GENE EXPRESSION 29
2.4.6 STRUCTURAL SIMILARITY 29
2.4.7 INTEGRATION APPROACHES 29
2.5 SOURCES O F BIOLOGICAL DATA I N USE TO PREDICT PPIS 3 0
2.6 SURVEY O F CURRENT INTERACTOMES 3 2
2.6.1 H U M A N INTRASPECIES INTERACTOMES 3 2
2.6.2 BACTERIA INTRASPECIES INTERACTOMES 37 2.6.2.1 HIGH-THROUGHPUT
EXPERIMENTAL APPROACHES TO IDENTIFY INTRASPECIES BACTERIAL INTERACTIONS
37
2.6.2.2 MODELING INTRASPECIES BACTERIAL INTERACTIONS 3 9 2.6.3
BACTERIA-HUMAN INTERSPECIES INTERACTOMES 4 0 2.6.3.1 EXPERIMENTAL
APPROACHES TO IDENTIFY BACTERIA-HUMAN PPIS 4 0 2.6.3.2 MODELING
BACTERIA-HUMAN PPIS 40 2.6.4 NON-PPI INTRASPECIES BACTERIAL AND
BACTERIA-HUMAN INTERSPECIES
INTERACTOME MODELS 41 2.6.5 V I R U S - H U M A N INTERSPECIES
INTERACTOMES 4 2 REFERENCES 43
3 MODULATORS O F PROTEIN-PROTEIN INTERACTIONS: IMPORTANCE
OFTHREE-DIMENSIONALITY 5 5 DAVID C. FRY A N D SUNG-SAU S O 3.1
INTRODUCTION 5 5
3.2 STUDY 56
3.3 DISCUSSION 58
3.4 SUMMARY 61
REFERENCES 61
4 A LEAP INTO T H E CHEMICAL SPACE O F PROTEIN-PROTEIN INTERACTION
INHIBITORS 63 BRUNO O. VILLOUTREIX, C. LABBE, DAVID LAGORCE, GUILLAUME
LACONDE, A N D OLIVIER SPERANDIO
4.1 INTRODUCTION 63
4.2 TYPES O F INTERACTION 64
4.3 PROPERTIES O F THE INTERFACE 65
4.4 ORTHOSTERIC VERSUS ALLOSTERIC MODULATION 66
4.5 LEAP INTO THE IPPI CHEMICAL SPACE 66
4.5.1 SEMINAL WORKS 66
4.5.2 ROAD TO A RATIONALIZATION O F THE IPPI CHEMICAL SPACE 6 7 4.6 CASE
STUDY 68
4.6.1 VISUALIZING THE IPPI CHEMICAL SPACE 7 0
4.6.2 IPPI VERSUS ADME/TOX PROPERTIES 71 4.6.3 IPPI VERSUS AROMATICITY
75
4.6.4 IPPI VERSUS CHEMICAL COMPLEXITY 7 7
IMAGE 3
CONTENTS I VII
4.6.5 IPPI VERSUS MOLECULAR SHAPE 7 7
4.6.6 IPPI VERSUS POTENCY 79
4.7 CONCLUSIONS 8 0
REFERENCES 81
5 INTERACTIVE TECHNOLOGIES FOR LEVERAGING THE KNOWN CHEMISTRY O F ANCHOR
RESIDUES TO DISRUPT PROTEIN INTERACTIONS 8 5 CARLOS J. CAMACHO, DAVID R.
KOES, A N D ALEXANDER S. DOMLING 5.1 INTRODUCTION 85
5.2 DRUGGABLE SITES I N PPIS 86
5.3 STRUCTURE-BASED LIBRARY DESIGN - A POWERFUL ALTERNATIVE TO
HIGH-THROUGHPUT SCREENING 87 5.4 NEW MCR CHEMISTRY TO DESIGN PPI
ANTAGONISTS 89
5.5 VIRTUAL SCREENING 90
5.6 NEW INTERACTIVE MODELING TECHNIQUES FOR MEDICINAL CHEMISTS 93 5.7
NEW IDEAS: HIT RATE VALIDATION O F ANCHOR-CENTERED SCREENING O F
P53/MDM2/4 95 5.8 SUMMARY 96
REFERENCES 97
6 SH3 DOMAINS AS DRUG TARGETS 101
JAMES LUCCARELLI, S A M THOMPSON, A N D ANDREW D. HAMILTON 6.1
INTRODUCTION 101
6.2 STRUCTURE 101
6.3 VARIABILITY 102
6.4 SH3 BINDING MOTIFS 104
6.4.1 CLASSICAL BINDING MOTIFS 104
6.4.2 TYROSINE-CONTAINING MOTIFS 107 6.4.3 RXXK MOTIF 108
6.4.4 OTHER BINDING MOTIFS F R O M PROTEOMIC SCREENS 109 6.4.5 TERTIARY
INTERACTIONS 110
6.5 SELECTIVITY 111
6.6 DRUG TARGET SELECTION 114
6.7 INHIBITION STRATEGIES: PEPTIDE A N D PEPTOID
INHIBITORS 114
6.7.1 PEPTIDE LIGANDS 114
6.7.2 COMBINATORIAL APPROACHES 115 6.7.3 PEPTIDE DIMERS 116
6.7.4 CONSTRAINED PEPTIDES 118
6.7.5 N-SUBSTITUTED PEPTOIDS 11 8
6.8 SMALL-MOLECULE INHIBITORS 119
6.9 CONCLUSIONS 122
REFERENCES 122
IMAGE 4
V I I I I C O N T E N T S
7 P53/MDM2 ANTAGONISTS: TOWARDS NONGENOTOXIC
ANTICANCER T REATMENTS 129 KAREEM KHOURY, TAD A. HOLAK, A N D ALEXANDER
DOMLING 7.1 INTRODUCTION 129
7.2 P53/MDM2 PPI IS CHARACTERIZED BY MANY COCRYSTAL STRUCTURES 130 7.3
NUTLINS: FIRST-IN-CLASS MDM2 ANTAGONISTS 131 7.4 JOHNSON & JOHNSON:
BENZODIAZEPINES 133
7.5 AMGEN: CHROMENOTRIAZOLOPYRIMIDINES & PIPERIDONES 137 7.6 UNIVERSITY
O F MICHIGAN: SPIROOXINDOLE 148 7.7 UNIVERSITY O F PITTSBURGH: UGI BASED
COMPOUNDS 153 7.8 UNIVERSITY O F NEWCASTLE: SOME SCAFFOLDS WITH NO
STRUCTURAL BIOLOGY
INFORMATION 155
7.9 OUTLOOK 161
REFERENCES 161
8 INHIBITION O F LFA-1 /ICAM INTERACTION FOR THE TREATMENT O F
AUTOIMMUNE DISEASES 165 KEVIN M. CUCKIAN A N D DANIEL M. SCOTT
8.1 INTRODUCTION 165
8.2 INTEGRIN STRUCTURE AND ACTIVATION 166
8.3 DIRECT INHIBITION O F THE LFA-1/ICAM INTERACTION 168 8.4 ALLOSTERIC
INHIBITORS O F THE LFA-1/ICAM INTERACTION - IDAS SITE 171 8.4.1
ABBOTT/ICOS/BIOGEN SERIES 171 8.4.2 BOEHRINGER INGELHEIM/TANABE
SEIYAKU/BRISTOL-MYERS SQUIBB
SERIES 178
8.5 SUMMARY 183
REFERENCES 183
9 THE PIF POCKET O F AGC KINASES: A TARGET SITE FOR ALLOSTERIC
MODULATORS AND PROTEIN-PROTEIN INTERACTION INHIBITORS 187 MATTHIAS ENGEL
9.1 INTRODUCTION 187
9.2 DISCOVERY A N D PHYSIOLOGICAL FUNCTIONS O F THE PIF POCKET 190 9.3
PROPERTIES O F THE PIF POCKET RELEVANT TO DRUG
DEVELOPMENT 192
9.3.1 THE PIF POCKET OFFERS THE POTENTIAL TO DEVELOP HIGHLY SELECTIVE
LIGANDS 192 9.3.2 MOLECULAR INTERACTIONS O F THE NATURAL H M PEPTIDE
LIGANDS 193 9.3.3 ALLOSTERIC MECHANISM O F THE PIF POCKET 196 9.3.4
STRUCTURAL PLASTICITY O F THE PIF POCKET 198 9.4 SMALL-MOLECULE PIF
POCKET LIGANDS 199
9.4.1 ALLOSTERIC ACTIVATORS AND PPI INHIBITORS O F PDK1 199 9.4.2
IDENTIFICATION O F FIRST HIT COMPOUNDS USING A PHARMACOPHORE-BASED
SCREENING APPROACH 200
IMAGE 5
CONTENTS I I X
9.4.3 CURRENT STATE O F RESEARCH O N PIF POCKET-DIRECTED PDK1
MODULATORS 203
9.4.4 ALLOSTERIC INHIBITORS 207
9.5 POTENTIAL SUPPORTIVE EFFECTS ENHANCING THE CELLULAR ACTIVITY O F PIF
POCKET-BINDING MODULATORS 209 9.5.1 ALLOSTERIC ACTIVATORS O F PDK1 209
9.5.2 PIF POCKET-DIRECTED INHIBITORS O F AGC KINASES 210 9.6 CONCLUSIONS
212
9.6.1 IS THE PIF POCKET A DRUGGABLE SITE? 212
9.6.2 GENERAL MEDICINAL CHEMISTRY ASPECTS AND OUTLOOK 213 REFERENCES 215
10 RETOSIBAN AND EPELSIBAN: POTENT AND SELECTIVE ORALLY AVAILABLE
OXYTOCIN ANTAGONISTS 225 ALAN D. BORTHWICK A N D J O H N LIDDLE 10.1
INTRODUCTION 225
10.2 ARYL-2,5-DKP TEMPLATE DISCOVERY AND INITIAL STRUCTURE-ACTIVITY
RELATIONSHIP STUDIES 227 10.3 SYNTHESIS O F THE RRR A N D RRS
6-INDANYL-3-ISOBUTYL-7-ARYL-2,5-DKP SECONDARY AMIDES 231 10.4 COMPARISON
O F CRYSTAL STRUCTURES O F OXYTOCIN A N D 2,5-DKPS 231 10.5
PHARMACOKINETICS AND PROPERTY-BASED DESIGN 232 10.6 IN VIVO POTENCY O F
2',4'-DIFLUROPHENYL DIMETHYLAMIDE 22 235
10.7 SYNTHESIS O F TERTIARY AMIDES 236
10.7.1 SYNTHESIS O F FIVE-AND SIX-MEMBERED HETEROCYCLIC 2,5-DKPS 237
10.8 SUMMARY O F LEAD OXYTOCIN ANTAGONIST 2',4'-DIFLUROPHENYL
DIMETHYLAMIDE 22 238
10.9 FURTHER MODIFICATIONS, FIVE- A N D SIX-MEMBERED HETEROCYCLIC
DERIVATIVES 238 10.10 FIVE-MEMBERED HETEROCYCLIC DERIVATIVES AND
RETOSIBAN 239 10.10.1 OXYTOCIN ANTAGONIST ACTIVITY A N D SELECTIVITY
VERSUS H U M A N
VASOPRESSIN RECEPTORS 242 10.10.2 IN VIVO POTENCY A N D SYNTHESIS 243
10.11 SUMMARY O F LEAD OXYTOCIN ANTAGONIST RETOSIBAN 56 244 10.12
SIX-MEMBERED HETEROCYCLIC DERIVATIVES AND EPELSIBAN 244 10.12.1
MONOSUBSTITUTED PYRIDYL ISOBUTYL DERIVATIVES 246
10.12.2 MODIFICATION O F ISOBUTYL I N 6'-MEPYRIDYL DERIVATIVES 246
10.12.3 DIMETHYLPYRIDYL (S)-SEC-BUTYL AMIDES 246 10.12.4 FURTHER
EVALUATION O F 2',6'-DIMETHYL-3'-PYRIDINE MORPHOLINE AMIDE 77 250
10.13 SUMMARY O F LEAD OXYTOCIN ANTAGONIST EPELSIBAN 77 252 10.14
COMPARISON O F LEAD COMPOUNDS 252 10.15 CONCLUSIONS 254
REFERENCES 254
IMAGE 6
X CONTENTS
11 PEPTIDIC INHIBITORS O F PROTEIN-PROTEIN INTERACTIONS FOR CELL
ADHESION
RECEPTORS: RGD PEPTIDES AND BEYOND 257 CARLOS MAS-MORUNO A N D HORST
KESSLER 11.1 INTRODUCTION 257
11.2 FROM THE DISCOVERY O F THE RGD MOTIF I N FN TO THE FIRST SELECTIVE
CYCLIC RGD PEPTIDE 258 11.2.1 RGD SEQUENCE, INTEGRINS, AND RECEPTOR
SELECTIVITY 258 11.2.2 CONCEPT O F SPATIAL SCREENING IN CYCLIC RGD
PEPTIDES 261
11.2.3 CONFORMATIONAL ASPECTS AND SELECTIVITY O F C(RGDFV) 263 11.2.4
PHARMACOPHORIC REQUIREMENTS O F C(RGDFV) TO BIND OT VP3 265 11.3
N-METHYLATION O F C(RGDFV): CILENGITIDE AND BEYOND 267 11.3.1 CONCEPT O
F N-METHYLATION 267 11.3.2 N-METHYL SCAN O F C(RGDV): SYNTHESIS,
BIOLOGICAL ACTIVITY, AND
STRUCTURAL CONSIDERATIONS O F CILENGITIDE 268 11.3.3 BEYOND CILENGITIDE:
DI-N-METHYLATED ANALOGS O F C(RGDFV) AND A VF}3 SELECTIVITY 271
11.4 ISODGR SEQUENCE AS A NEW INTEGRIN-BINDING MOTIF 274 11.4.1
FORMATION O F ISOASP RESIDUES I N PEPTIDES AND PROTEINS 274 11.4.2 NGR
DEAMIDATION TO ISODGR YIELDS A NEW INTEGRIN-BINDING MOTIF 275
11.4.3 DESIGN O F CYCLIC PEPTIDES CONTAINING THE ISODGR MOTIF AS NEW
INTEGRIN ANTAGONISTS 276 11.4.4 RECEPTOR SELECTIVITY O F CYCLIC ISODGR
PEPTIDES 279 11.5 CONCLUSIONS 281
REFERENCES 282
12 REPLACE STRATEGY FOR GENERATING NON-ATP-COMPETITIVE INHIBITORS O F
CELL CYCLE PROTEIN KINASES 291 CAMPBELL MCLNNES 12.1 INTRODUCTION 291
12.2 INHIBITION O F CDKS THROUGH THE CYCLIN GROOVE 291 12.3 INHIBITORS O
F PLKS 298
12.3.1 PB DOMAIN 298
12.4 CONCLUSIONS 301
REFERENCES 302
INDEX 305 |
| any_adam_object | 1 |
| author2 | Dömling, Alexander 1964- |
| author2_role | edt |
| author2_variant | a d ad |
| author_GND | (DE-588)114377944 |
| author_facet | Dömling, Alexander 1964- |
| building | Verbundindex |
| bvnumber | BV040903670 |
| classification_rvk | VC 6250 VK 8560 VS 5350 |
| classification_tum | CHE 820f CHE 893f |
| ctrlnum | (OCoLC)828723380 (DE-599)DNB1022181386 |
| dewey-full | 615.19 547.704426015726 |
| dewey-hundreds | 600 - Technology (Applied sciences) 500 - Natural sciences and mathematics |
| dewey-ones | 615 - Pharmacology and therapeutics 547 - Organic chemistry |
| dewey-raw | 615.19 547.704426015726 |
| dewey-search | 615.19 547.704426015726 |
| dewey-sort | 3615.19 |
| dewey-tens | 610 - Medicine and health 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Chemie Medizin |
| format | Book |
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| genre_facet | Aufsatzsammlung |
| id | DE-604.BV040903670 |
| illustrated | Illustrated |
| indexdate | 2024-08-21T00:37:57Z |
| institution | BVB |
| isbn | 9783527331079 3527331077 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-025883150 |
| oclc_num | 828723380 |
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| owner_facet | DE-11 DE-20 DE-19 DE-BY-UBM DE-91G DE-BY-TUM |
| physical | XXI, 314 S. graph. Darst. 25 cm |
| publishDate | 2013 |
| publishDateSearch | 2013 |
| publishDateSort | 2013 |
| publisher | Wiley-VCH-Verl. |
| record_format | marc |
| series | Methods and principles in medicinal chemistry |
| series2 | Methods and principles in medicinal chemistry |
| spelling | Protein-protein interactions in drug discovery ed. by Alexander Dömling Weinheim Wiley-VCH-Verl. 2013 XXI, 314 S. graph. Darst. 25 cm txt rdacontent n rdamedia nc rdacarrier Methods and principles in medicinal chemistry 56 Literaturangaben Protein-Protein-Wechselwirkung (DE-588)4745193-2 gnd rswk-swf Zielstruktur (DE-588)1028794711 gnd rswk-swf Arzneimitteldesign (DE-588)4278218-1 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Protein-Protein-Wechselwirkung (DE-588)4745193-2 s Zielstruktur (DE-588)1028794711 s Arzneimitteldesign (DE-588)4278218-1 s DE-604 Dömling, Alexander 1964- (DE-588)114377944 edt Methods and principles in medicinal chemistry 56 (DE-604)BV035418617 56 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=4033952&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025883150&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Protein-protein interactions in drug discovery Methods and principles in medicinal chemistry Protein-Protein-Wechselwirkung (DE-588)4745193-2 gnd Zielstruktur (DE-588)1028794711 gnd Arzneimitteldesign (DE-588)4278218-1 gnd |
| subject_GND | (DE-588)4745193-2 (DE-588)1028794711 (DE-588)4278218-1 (DE-588)4143413-4 |
| title | Protein-protein interactions in drug discovery |
| title_auth | Protein-protein interactions in drug discovery |
| title_exact_search | Protein-protein interactions in drug discovery |
| title_full | Protein-protein interactions in drug discovery ed. by Alexander Dömling |
| title_fullStr | Protein-protein interactions in drug discovery ed. by Alexander Dömling |
| title_full_unstemmed | Protein-protein interactions in drug discovery ed. by Alexander Dömling |
| title_short | Protein-protein interactions in drug discovery |
| title_sort | protein protein interactions in drug discovery |
| topic | Protein-Protein-Wechselwirkung (DE-588)4745193-2 gnd Zielstruktur (DE-588)1028794711 gnd Arzneimitteldesign (DE-588)4278218-1 gnd |
| topic_facet | Protein-Protein-Wechselwirkung Zielstruktur Arzneimitteldesign Aufsatzsammlung |
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| volume_link | (DE-604)BV035418617 |
| work_keys_str_mv | AT domlingalexander proteinproteininteractionsindrugdiscovery |