| Poster A01 Global Search MD: A Drug Docking in the M2 H+ Channel of Influenza A. Itamar Kass, Isaiah T Arkin Department of Biological Chemistry, The Alexander Silberman Institute of Life Sciences, The Hebrew University of Jerusalem |
| Abstract: The tetrameric M2 protein from Influenza A is a simple pH-gated H+ blocked by the anti-viral drugs amantadine and rimantadine. In this study, we present a novel global search MD in hydrated lipid bilayers, which results in a model of the M2/Amantadine complex. This model was further validated using biochemical and biophysical data available. Furthermore, based on this model we can understand the binding mechanism of the drug to the channel on the molecular level. This will enhance the efficiency of future anti-influenza drug design. Contact: ikass@cc.huji.ac.il Keywords: Influenza, MD, Ion Channel |
| Poster A02 Cancer Immunotherapy by Interleukin-21: Theoretical Evaluation of Potential Treatment Strategies Moran Elishmereni, Antonio Cappuccio, Zvia Agur Institute for Medical BioMathematics (IMBM) |
| Abstract: Interleukin-21 (IL-21) participates in the transition from innate to adaptive immunity, and facilitates tumor eradication in vivo. To study the prospects of IL-21 as an immunotherapeutic agent, cancer-immune system interactions were mathematically modeled, focusing on IL-21-mediated NK/CTL effects. The model retrieved murine melanoma and fibrosarcoma growth dynamics from various experiments. Computer simulations suggest that, in non-immunogenic malignancies, clinical use of IL-21 should include a tumor mass-dependent therapeutic strategy, faithfully amplifying the natural anticancer immunity. Contact: moran@imbm.org Keywords: Immunomodulation, Biomathematical Modeling |
| Poster A03 Healthy Humans are Born with Autoimmunity to Defined Sets of Self-Molecules: Informatic Analysis of Cord Autoantibodies Yifat Merbl (1), Merav Zucker-Toledano (2), Francisco J. Quintana (3) Irun R. Cohen (4) (1) Systems Biology Department, Harvard Medical School; (2) Pediatric Department, Dana Children's Hospital, Tel-Aviv Sourasky Medical Center and Tel- Aviv University; (3) Center for Neurologic Diseases, Harvard Medical School; (4) Department of Immunology, The Weizmann Institute of Science |
| Abstract: In this study we analyzed the complexity of the immune system by viewing its natural reactivity patterns. The subject here was the collective character of natural antibody repertoires (AR). We compared the AR natural repertoires expressed in the sera of newborns with the AR in their mothers' sera and colostrums. We therefore probed samples (using antigens microarrays) with an array of 305 antigens across 3 different isotypes (IgM,IgG,IgA).We used analytical tools of two kinds:compression of the data into informative visual representations and mathematical analysis based on group variance, correlation mapping, and relationships (clustering). Contact: ymerbl@fas.harvard.edu Keywords: Antigen Microarray, Antibody Repertoire, Immune |
| Poster A04 Models for Antigen Receptor Gene Rearrangement: CDR3 Length Ravit Saada (1), Moran Weinberger (2), Ramit Mehr (1) (1) Bar-Ilan University; (2) University of Toronto |
| Abstract: In V(D)J recombination, CDR3 lengths are distributed almost normally. Is this just due to stochasticity, or has rearrangement been evolutionarily optimized? Using a simulation of all DNA modifications included in gene rearrangement, we suggest that specific biases govern the rearrangement process, and that V(D)J recombination parameters most likely reflect the optimal conditions under which rearrangement occurs. We also found that identical rearrangements of the heavy chain are highly unlikely to occur within one human lifetime, for the light chain this probability is not negligible. Contact: mehrra@mail.biu.ac.il Keywords: Immunoglobulin Gene Rearrangement, CDR3 |
| Poster A05 A Phenomenological Model of Tumour Growth and its Implications for Cancer Prophylaxis Rem Khlebopros (1), Vladimir Slepkov (2), Vladislav Soukhovolsky (1) (1) Krasnoyarsk Science Centre SB RAS; (2) Nikolaev Institute of Inorganic Chemistry SB RAS |
| Abstract: Population dynamics of cancer cells is applied to diffuse cancer and to solid tumors. Local interaction between cancer and tissue cells is shown to be essential for cancer development. In solid tumours local interaction is controlled by the tumour radius and is responsible for the formation of complex structures such as elongate outgrowths, dendritic structures, and metastases. The tumour growth changes dramatically when crossing a boundary between two tissues. The obtained theoretical results are applied to test the impact of various external effects on the probability of cancer disease. Contact: vslepkov@mail.ru Keywords: Cancer, Tumour, Modelling, Prophylaxis |
| Poster A06 New Derivatives of DPPacid as Tyrosinase Inhibitors: Structure-Activity Relationships Soliman Khatib (1,2), Jacob Vaya (1,2) (1) Laboratory of Natural Medicinal Compounds, Migal-Galilee Technological Center; (2) Department of Biotechnology and Environmental Science, Tel-Hai Academic College, Israel |
| Abstract: The present study was to investigate the effect of DPP-esters (DPP-OR), with various hydrophobic R groups, on tyrosinase activity. New derivatives of DPPacid were synthesized, methyl, ethyl, isopropyl and octyl forming DPP-esters (DPP-OR), and their inhibitory effect was tested. Structure-activity relationship studies were performed using the Autodock program to calculate docking parameters related to the interaction between tyrosinase and its potential inhibitors. Contact: solimankh@migal.org.il Keywords: Tyrosinase, Inhibitor, Dppacid, SAR, Autodock |
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