Vol. 6 No. 2B June 2001
IPK'2001
2ND INTERNATIONAL CONFERENCE ON INHIBITORS OF PROTEIN KINASES
(DESIGN * STRUCTURAL BIOLOGY * PHOSPHORYLATION/DEPHOSPHORYLATION * BIOCHEMISTRY * BIOTECHNOLOGY * CLINICAL ASPECTS * CHEMOTHERAPY)
AND
WORKSHOP ON COMPUTER-AIDED DRUG DESIGN
SEPTEMBER 9-15, 2001, WARSAW, POLAND
INTERNATIONAL ADVISORY BOARD:
DIRK BOSSEMEYER (GERMANY)
PHILIP COHEN (UK)
WILLIAM A. DENNY (NEW ZEALAND)
YASUO FUKAMI (JAPAN)
BRIAN A. HEMMINGS (SWITZERLAND)
LOUISE N. JOHNSON (UK)
EDWIN G. KREBS (USA)
DAVID S. LAWRENCE (USA)
ALEXANDER LEVITZKY (ISRAEL)
J. ANDREW MCCAMMON (USA)
EISUKE NISHIDA (JAPAN)
LORENZO A. PINNA (ITALY)
SUSAN S. TAYLOR (USA)
ORGANIZED BY:
ICM, WARSAW UNIVERSITYINSTITUTE OF BIOCHEMISTRY & BIOPHYSICS, PAS, WARSAW
COMMITTEE OF BIOCHEMISTRY & BIOPHYSICS, PAS, WARSAW
INTERNATIONAL INSTITUTE OF MOLECULAR & CELL BIOLOGY, WARSAW
UNDER THE AUSPICES OF THE
INTERNATIONAL UNION OF BIOCHEMISTRY AND MOLECULAR BIOLOGY (IUBMB)AND
INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY (ICGEB)| Volume 6 (2001) pp 448 | |
| Title | PREFACE |
| Authors | David Shugar |
Protein phosphorylation is widely recognized as the most important pathway of regulation of protein functions in living cells, by switching cellular activities from one state to another, and regulating gene expression, cell proliferation and cell differentiation. It is the major mechanism by which cells respond to extracellular signals such as hormones and growth factors, and controls all events at various stages of the cell cycle. Reversible protein phosphorylation is catalyzed by protein kinases and protein phosphatases. Dysfunctions in activities of protein kinases may lead to severe pathological states, and it is consequently not surprising that many biotechnology companies have for some time been "targeting" these enzymes as potentially important targets for drug development. The foregoing led to the organization, in September, 1998, of the 1st International Conference on INHIBITORS OF PROTEIN KINASES (IPK'98), followed by publication of all the invited lectures, each in the form of an overview, in the journal PHARMACOLOGY & HERAPEUTICS, Vol. 82 (Nos. 2-3), 1999. In the intervening three years, there has been unabated remarkable progress in identification and specificities of protein kinases, their three-dimensional structures and mechanisms of action, delineation of signaling pathways, in many instances with the aid of inhibitors, and numerous promising applications of the latter as therapeutic agents. This prompted us to undertake the organization of the present 2nd such Conference, which is truly international in scope, and involves participation of leading specialists, representing a broad range of disciplines, from both academia and the biotechnological industry. We are indebted to the Editors of this journal for undertaking publication of the Abstracts of invited lecturers, and of posters accepted for presentation (including some selected for short oral presentation). Also listed are Abstracts of invited lectures, and posters, to be presented at an accompanying Workshop on Molecular Modelling Techniques, including applications to protein kinases. |
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| Volume 6 (2001) pp 449-556 | |
| Abstracts of the lectures | |
| Abstracts List |
p38 MAP KINASE INHIBITORS:FROM BIOCHEMICAL TOOLS TO CLINICAL TRIALS Jerry L. Adams, Michael J. Bower, Jeffrey C. Boehm, Timothy F. Gallagher, Ralph Hall, Baoguang Zhao and John C. Lee - p450 PROTEIN KINASE INHIBITORS AND ANTIBIOTIC RESISTANCE Albert M. Berghuis - p 452 STRUCTURAL ASPECTS OF PROTEIN KINASE CONTROL Richard A. Engh and Dirk Bossemeyer - p453 HOW TO CURE DIABETES WITHOUT CAUSING CANCER Philip Cohen - p454 CHEMICAL APPROACHES TO PROTEIN PHOSPHORYLATION Philip A. Cole - p456 SMALL MOLECULE IRREVERSIBLE INHIBITORS OF THE erbB FAMILY OF TRANSMEMBRANE RECEPTORS William A. Denny - p457 HIGHLY SPECIFIC AND MEMBRANE PERMEANT PEPTIDE INHIBITORS OF cGMP-DEPENDENT PROTEIN KINASE Ia Wolfgang R.G. Dostmann, Christian K. Nickl, Mark S. Taylor, Joseph E. Brayden, Ronald Frank and Werner J. Tegge - p458 PROTEIN KINASES AS TARGETS FOR ANTICANCER AGENTS: FROM INHIBITORS TO USEFUL DRUGS Doriano Fabbro - p459 EGFR KINASE INHIBITION: IT'S ROLE IN DIVERSE DISEASES Philip Frost - p462 INHIBITION AND ACTIVATION OF c-Src: THE HEAD AND TAIL OF A COIN Yasuo Fukami - p463 USE OF PROTEIN KINASE INHIBITORS TO DISSECT THE REGULATION OF PROTEIN KINASE B (PKB/Akt) BY UPSTREAM KINASES Michelle M. Hill, Mirjana Andjelkovic, Derek P. Brazil, Stefano Ferrari, Doriano Fabbro and Brian A. Hemmings - p465 MOLECULAR RECOGNITION AND ACTIVE SITE STRUCTURE IN PHOSPHORELAY SIGNAL TRANSDUCTION James A. Hoch - p466 ESTABLISHMENT OF A BINDING ASSAY FOR PROTEIN KINASE C (PKC) ISOZYMES USING SYNTHETIC C1 PEPTIDES AND DEVELOPMENT OF NEW MEDICINAL LEADS WITH PKC ISOZYME AND C1 DOMAIN SELECTIVITY Kazuhiro Irie - p467 STRUCTURE BASED DESIGN OF A POTENT INHIBITOR OF CDK2 Tom G. Davies, Jane A. Endicott, Louise N. Johnson, Martin E. M. Noble, Christine E. Arris, Joe Bentley, A. Hilary Calvert, Nicola J. Curtin, Bernard T. Golding, Roger J. Griffin, Ian H. Hardcastle, Veronique Mesguiche, Herbie Newell, Roger J. Parsons, Hayley J. Whitfield, Tom Boyle and Philip Jewsbury - p470 GENOME WIDE SCREENING FOR INHIBITORS OF PROTEIN KINASES Stephen M. Mccraith and Michael Kahn - p471 FROM CONSENSUS SEQUENCE TO HIGH AFFINITY LIGANDS: ACQUISITION OF SIGNALING PROTEIN MODULATORS David Lawrence - p472 PATHOLOGICAL ANGIOGENESIS: MOLECULAR ASPECTS AND THERAPEUTIC INHIBITION OF ENDOTHELIAL RECEPTOR TYROSINE KINASES Dieter Marme - p473 PHARMACOLOGICAL MANIPULATION OF Rho-ASSOCIATED KINASE, ROCK Shuh Narumiya - p476 DOCKING INTERACTIONS IN THE MAP KINASE CASCADES Takuji Tanoue and Eisuke Nishida - p477 CYCLIN DEPENDENT KINASES AS A POTENTIAL THERAPEUTIC TARGET FOR STROKE David S. Park - p478 STRUCTURAL BASIS FOR THE ACTIVITY OF pp60c-src PROTEIN TYROSINE KINASE INHIBITORS Montgomery Pettitt - p479 STRUCTURAL BASIS FOR SELECTIVE INHIBITION OF PROTEIN KINASE CK2 BY ATP SITE-DIRECTED LIGANDS Stefania Sarno, Roberto Battistutta, Erika De Moliner, Flavio Meggio, Giuseppe Zanotti and Lorenzo A. Pinna - p480 GSK-3; A COMMON TARGET OF EXTRACELLULAR STIMULI AND SELECTIVE SMALL MOLECULE INHIBITORS THAT MODULATE GLYCOGEN METABOLISM AND NEURONAL DEATH Alastair D. Reith -p482 NOVEL AND SPECIFIC Rho-KINASE INHIBITOR, H1152P, DIRECTED AGAINST THE Rho-KINASE INVOLVED PATHWAY Yasuharu Sasaki, Mami Ikenoya, Naoki Yamamoto, Masaaki Suzuki and Hiroyoshi Hidaka - p483 DISCOVERY OF SUBSTRATES AND SMALL MOLECULE INHIBITORS FOR A DEATH ASSOCIATED PROTEIN KINASE Anastasia V. Velentza, Andrew M. Schumacher, Curtis Weiss, Anu Sawkar, Magdalena Zasadzki, Jacques Haiech, Martin Egli and D. Martin Watterson - p484 DESIGNING SPECIFIC PROTEIN KINASE INHIBITORS: INSIGHTS FROM COMPUTER SIMULATIONS AND COMPARATIVE SEQUENCE/STRUCTURE ANALYSIS Chung F. Wong - p486 MODULATION OF PROTEIN KINASE SIGNALING BY PROTEIN PHOSPHATASES AND INHIBITORS Zhong-Yin Zhang - p487 |
| Poster Abstracts | |
| Abstracts List |
BIOCHEMICAL AND FUNCTIONAL ANALYSIS OF STK DURING
HEAD REGENERATION IN HYDRA Marcela Cí Rdenas M., Yanko Fabila and Luis M. Salgado EXTRACELLULAR SIGNAL-REGULATED KINASE 1/2 IS A DEFENSE MECHANISM FOR NEURONS EXPOSED TO DNA-DAMAGE Agata Goźdź, Marcin Chlystun and Michał Hetman NATURAL VERSUS SYNTHETIC GENISTEIN IN A DRUG DEVELOPMENT PERSPECTIVE Grzegorz Grynkiewicz GLYCOGEN SYNTHASE KINASE-3b AS A TARGET FOR ANTI- APOPTOTIC SIGNALS Michał Hetman, Agata Kaleta, Marcin Chłystun, Matthew Higgins, Jane Cavanaugh and Zhengui Xia INHIBITION OF LYN KINASE POTENTIATES BCR-MEDIATED SIGNALING AND PROLIFERATION Scott Jakes, Susan Lukas, Brian Castle, Roger Snow, Neil Moss and Marilyn Kehry PHOSPHORYLATION OF CALCYCLIN BINDING PROTEIN (CacyBP) Beata Jastrzębska, Anna Filipek and Jacek Kuźnicki EFFECT OF INHIBITORS OF POLYPEPTIDE GROWTH FACTOR RECEPTOR TYROSINE KINASE ON ATP SYNTHESIS IN PLASMA MEMBRANES OF HUMAN MALIGNANT TUMORS V.S. Demidova, A.G. Globa and Arthur A. Karelin EFFECT OF FIBRATES ON BRANCHED CHAIN a-KETOACID DEHYDROGENASE (BCKDH) KINASE ACTIVITY Malgorzata Knapik-Czajka, Izabela Cyganek, Pawel Wołkow and Jerzy Jaskiewicz SOLVENT BEHAVIOR IN THE MOLECULAR DYNAMICS SIMULATIONS OF FREE Cdk2 AND ITS COMPLEXES WITH INHIBITORS Zdenek Kŕiž, Michal Otyepka and Jaroslav Koča EFFECT OF INHIBITORS AGAINST THE MAPK AND PI3K PATHWAYS ON HEAD REGENERATION OF HYDRA G. Cecilia Manuel, Asdrubal Aguilera and Luis M. Salgado MOLECULAR FEATURES OF SELECTIVE POLYPHENOLIC INHIBITORS OF PROTEIN KINASE CK2 Flavio Meggio, Stefano Moro, Arianna Donella Deana, Diego Dal Ben, Stefania Sarno, Giuseppe Zagotto and Lorenzo A. Pinna NOVEL AND SPECIFIC RHO-KINASE INHIBITOR, H1152P, DIRECTED AGAINST THE RHO-KINASE INVOLVED PATHWAY Yasuharu Sasaki, Mami Ikenoy, Naoki Yamamoto, Masaaki Suzuki and Hiroyoshi Hidaka TUMOR-PROMOTING PHORBOL ESTERS BIND DIRECTLY TO THE REGULATORY DOMAIN OF DIACYLGLYCEROL KINASE GAMMA Mayumi Shindo, Kazuhiro Irie, Hajime Ohigashi, Masamitsu Kuriyama and Naoaki Saito INTERACTION OF PALMITOYLCARNITINE WITH PROTEIN KINASE C IN NEUROBLASTOMA NB-2a CELLS Joanna Sobiesiak-Mirska, Maciej J. Nalecz and Katarzyna A. Nalecz PHOSPHORYLATION OF RAF-1 BY KINASE SUPPRESSOR OF RAS (KSR-1) IS INHIBITED BY ”MEK-SPECIFIC’ INHIBITORS PD 098059 AND U0126 IN DIFFERENTIATING HL60 CELLS Xuening Wang and George P. Studzinski THE KINETIC MECHANISM OF THE PHOSPHORYLATION OF A MODEL FOR A TRANSCRIPTION FACTOR SUBSTRATE BY ERK2 William F. Waas and Kevin N. Dalby ENZYME-LINKED IMMUNOSORBENT ASSAY FOR DETERMINATION OF P21-ACTIVATED KINASE ACTIVITY Jau-Song Yu, Sheng-Hung Chang, Wen-Hsiung Chan and Hua-Chien Chen |
| Abstracts of Oral Presenations | |
| Abstracts List |
STRUCTURAL AND THERMODYNAMIC VALIDATION OF
INACTIVE CDK2 AS A TEMPLATE FOR STRUCTURE-BASED DRUG
DESIGN Thomas G. Davies, Jane A. Endicott, Martin E. M. Noble, Louise N. Johnson, Christine E. Arris, Johanne Bentley, F. Thomas Boyle, A. Hilary Calvert, Nicola J. Curtin, Philip J. Jewsbury, Ashley E. Gibson, Bernard T.Golding, Roger J. Griffin, Ian Hardcastle, Vernonique Mesguiche, Rachael Parsons, Hayley Whitfield and David R. Newell TOWARDS A PKB INHIBITOR Shoshana Klein, Tamar Geiger, Hadas Reuven, Nurit Livnah and Alexander Levitzki A NEW CLASS OF p38 MAP KINASE INHIBITORS THAT EXPLOIT A NOVEL BINDING SITE Neil Moss, Steffen Breitfelder, Pier Cirillo, Thomas Gilmore, Anne Graham, Eugene Hickey, Jeffrey Madwed, Monica Moriak, Chris Pargellis, Alfred Proto, John Regan, Alan Swinamer, Liang Tong and Carol Torcellini IDENTIFICATION OF THE AUTOINHIBITORY DOMAIN OF PKN: CONSTRUCTION OF A SELECTIVE INHIBITOR OF THE PKN FAMILY Hideyuki Mukai and Yoshitaka Ono MOLECULAR DYNAMICS STUDY ON FREE cdk2 AND ITS COMPLEXES WITH PURINE-LIKE INHIBITORS Michal Otyepka, Zdenek Kŕiž and Jaroslav Koča 2 INTEGRIN-LINKED KINASE 1 (ILK1): A "HOT" THERAPEUTIC TARGET Penny C. Costell1, D. Ljiljana Kojic, Mojgan Jabali, Zaihui Zhang, Ladan Azli, Nathan Yoganathan, Dan Leung, Jun Yan, Arthur Yee, Shoukat Dedhar, Jasbinder Sanghera A NOVEL CHEMICAL GENETIC APPROACH FOR V-SRC SUBSTRATES REVEALS ORDERED ASSEMBLY OF RETROGRADE SIGNALLING PATHWAY Kavita Shah THE DISCOVERY OF 2-PHENYLAMINO-IMIDAZO[4,5-h]ISO- QUINOLIN-9-ONES, A NEW CLASS OF INHIBITORS of Lck KINASE WITH in vivo ACTIVITY Roger J. Snow, Tanja Butz, Mario G. Cardozo, Robert J. Eckner, Daniel R. Goldberg, Abdelhakim Hammach, Scott Jakes, Suresh Kapadia, Susan Lukas, Tina M. Morwick, Neil Moss, Maret Panzenbeck, Usha R. Patel, Gregory W. Peet, Jeffrey D. Peterson, Anthony S. Prokopowicz Iii, Hidenori Takahashi, Jonathan D. Tan, Matt A. Tschantz, Xiao-Jun Wang and Rosemarie Zinter BIBX 1382, A SELECTIVE EGFR TYROSINE KINASE INHIBITOR, INHIBITS CELL PROLIFERATION, INDUCES CELL DIFFERENTIATION AND DISPLAYS ANTI-TUMOR ACTIVITY AGAINST A VARIETY OF XENOGRAFT MODELS Flavio F. Solca, Guenther Adolf, Horst Ahorn, Anke Baum, Georg Dahmann, Frank Hilberg, Frank Himmelsbach, Thomas Metz and Jacques Van Meel SYNTHESIS AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR SOLUBLE 6-SUBSTITUTED 4-ANILINOQUINOLINE-3- CARBONITRILES. ORALLY ACTIVE, IRREVERSIBLE INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) Hwei-Ru Tsou, Elsebe Overbeek, Marvin F. Reich, M. Brawner Floyd, Bernard D. Johnson, Brian C. Gruber, Fei Ye, William A. Hallett, Ramaswamy Nilakantan, Ru Shen, Yu-Fen Wang, Lee M. Greenberger and Allan Wissner |
| WORKSHOP on MOLECULAR MODELING METHODS | |
| Invited Lectures | |
| Abstracts List |
CAN HOMOLOGY MODELS BE USED FOR HIGH THROUGHPUT
DOCKING? KINASES AS A TEST CASE Hugues-Olivier Bertrand PROTEIN IONIZATION STATE PREDICTION USING A POISSON- BOLTZMANN METHOD James M. Briggs PREDICTION OF RATES OF ENCOUNTER OF A SMALL MOLECULE WITH A PROTEIN USING A BROWNIAN DYNAMICS METHOD IN A CONTINUUM SOLVENT ENVIRONMENT James M. Briggs NEW LEADS FOR DRUG DEVELOPMENT FROM VIRTUAL SCREENING Gerhard Klebe DOCKING STRATEGIES: BINDING OF SUBSTRATE AND INHIBITORS TO S-ADENOSLYHOMOCYSTEINE HYDROLASE “ A CASE STUDY Krzysztof Kuczera, Yongbo Hu, Dan Yin and Ronald T. Borchardt FREE ENERGY SIMULATIONS APPLIED TO BIOCHEMICAL PROBLEMS Krzysztof Kuczera SIMPLE MODEL FOR LIGAND - MACROMOLECULE INTERACTIONS Witold R. Rudnicki and Krzysztof Ginalski DOCKING AND SCORING. EXPLORING THE LIMITATIONS OF UNDERSTANDING MOLECULAR RECOGNITION Michal Vieth MODELING DRUG-RECEPTOR INTERACTIONS STARTING FROM THE SEQUENCE OF A RECEPTOR Chung F. Wong |
| WORKSHOP on MOLECULAR MODELING METHODS | |
| Posters | |
| Abstracts List |
HOMOLOGY-DERIVED THREE-DIMENSIONAL STRUCTURE
PREDICTION OF FERULOYL ESTERASE FROM ASPERGILLUS
NIGER Fraj O. Aliwan, Richard Pickersgill and Gary Williamson DYNAMIC PHARMACOPHORE MODEL DEVELOPMENT AND TESTING James M. Briggs, Maria Letizia Barreca, Jinxia Deng, Matthew Lee, Keun Woo Lee and Adeyemi Adesokan MOLECULAR DYNAMICS STUDIES AND STRUCTURAL ANALYSES OF ALANINE RACEMASE - AS A DRUG DESIGN TARGET James M. Briggs, Gabriela Iurcu Mustata, Hung-Chung Huang and Thereza A. Soares MODELLING THE 3D STRUCTURE OF PROTEIN KINASE C g AND ITS INTERACTION WITH SPECIFIC INHIBITOR, CHELERYTHRINE Pawel Brodacki, Krzysztof Ginalski and Bogdan Lesyng QUANTUM-MECHANICAL CALCULATIONS OF THE POTENTIAL ENERGY FUNCTION FOR THE PHOSPHATE TRANSFER IN MODEL SYSTEMS Krzysztof Ginalski, Pawel Grochowski and Bogdan Lesyng ONKOGENIC ACTIVATION CAUSED BY POINT MUTATIONS IN THE KINASE DOMAIN OF THE MET PROTO-ONCOGENE: MOLECULAR MODELING STUDIES Maria Miller, Krzysztof Ginalski, Bogdan Lesyng, Noboru Nakaigawa, Laura Schmidt and Berton Zbar MOLECULAR RECOGNITION IN KINASES THROUGH COMPUTATIONAL CHEMISTRY Michal Vieth PREDICTION OF PROTONATION STATES OF PHOSPHOTYROSINE IN SHORT PEPTIDES AND PROTEINS Michal Wojciechowski, Tomasz Grycuk, Jan Antosiewicz and Bogdan Lesyng Ser/Thr PROTEIN PHOSPHATASE-1 AND -2A CATALYTIC UNITS: SIMULATION OF THEIR INTERACTIONS WITH SELECTED SUBSTATE AND INHIBITOR SEQUENCES Edyta Woźniak-Celmer, Stanisław Ołdziej and Jerzy Ciarkowski |
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