| Poster C01 |
| MODELLING AND DOCKING STUDIES OF AMYLOID PRECURSOR PROTEIN IN ALZHEIMER'S DISEASE |
| KUNAL KUNDU- VELLORE INSTITUTE OF TECHNOLOGY UNIVERSITY |
| ANIMESH KHAN (VELLORE INSTITUTE OF TECHNOLOGY UNIVERSITY, SCHOOL OF BIOTECHNOLOGY,CHEMICAL AND BIOMEDICAL ENGINEERING); FEBIN PRABHUDASS (VELLORE INSTITUTE OF TECHNOLOGY UNIVERSITY, SCHOOL OF BIOTECHNOLOGY,CHEMICAL AND BIOMEDICAL ENGINEERING); |
| Short Abstract: A computational approach is used for identification of lead compounds to target protein molecule involved in diseased state.The lead compounds mined,binds to the active site of amyloid precursor protein(APP) preventing the formation of plaques,the main pathogenic component of alzheimer's disease.We propose a set of lead compounds as a potetial inhibitor of APP,preventing the disease. |
| Long Abstract: Click Here |
|
| Poster C02 |
| Chemical Entities of Biological Interest |
| Paula de Matos- European Bioinformatics Institute |
| Kirill Degtyarenko (European Bioinformatics Institute, Chemoinformatics and Metabolism); Marcus Ennis (European Bioinformatics Institute, Chemoinformatics and Metabolism); Janna Hastings (European Bioinformatics Institute, Chemoinformatics and Metabolism); Alan McNaught (European Bioinformatics Institute, Chemoinformatics and Metabolism); Kristian Axelsen (Swiss Institute of Bioinformatics, SwissProt); Christoph Steinbeck (European Bioinformatics Institute, Chemoinformatics and Metabolism); |
| Short Abstract: Chemical Entities of Biological Interest (ChEBI) is a freely available database of small molecular entities. ChEBI is a manually annotated chemoinfomatics resource providing data such as nomenclature, ontology and chemical structures. New developments include the ability to provide chemical substructure and similarity searching. ChEBI is available at http://www.ebi.ac.uk/chebi/ |
| Long Abstract: Click Here |
|
| Poster C03 |
| Improving Pathway Prediction |
| Junfeng Gao- University of Minnesota |
| Larry Wackett (University of Minnesota, Department of Biochemistry, Molecular Biology, and Biophysics); Lynda Ellis (University of Minnesota, Department of Laboratory Medicine and Pathology); |
| Short Abstract: The UM-BBD Pathway Prediction System (UM-PPS) uses information in the University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD, http://umbbd.msi.umn.edu/) to predict microbial catabolism of organic compounds. We added the ability to allow relative reasoning and variable aerobic likelihood to the code infrastructure. We will discuss how these additions have improved pathway predictions. |
| Long Abstract: Click Here |
|
| Poster C06 |
| A new approach for the treatment of biomolecular flexibility : the Static Modes |
| Marie Brut- LAAS-CNRS |
| Alain Esteve (LAAS-CNRS, MIS); Mehdi Djafari Rouhani (LAAS-CNRS, MIS); Georges Landa (LAAS-CNRS, MIS); Guillaume Renvez (LAAS-CNRS, MIS); |
| Short Abstract: We have developed a competitive method based on induced-fit concept, called Static Mode method, to map the intrinsic flexibility of biomolecules. The algorithm allows obtaining a set of deformations, each one corresponding to a specific interaction on a specific molecular site, in terms of force constants contained in the energy model. |
| Long Abstract: Click Here |
|
| Poster C07 |
| Species Level Characterization in Thaumatococcus: Re-evaluating Morphological evidences via In-Silico Studies |
| S Chinedu- Covenant University |
| A Omonhinmin (Covenant University, Department of Biological Sciences); I Dike (Covenant University, Department of Biological Sciences); O Omotosho (Covenant University, Department of Biological Sciences); V Osamor (Covenant University, Department of Computer and Information Sciences); O Oyelade (Covenant University, Department of Computer and Information Sciences); E Adebiyi (Covenant University, Department of Computer and Information Sciences); |
Short Abstract: Thaumatococcus daniellii is a West African plant known for its non-sugar protein sweeteners, a veritable substitute for artificial sweeteners. DNA sequences, herbaria and indigenous knowledge, suggest inaccurate species delimitation of the taxon as well as an urgent need for improve sequencing rate to enhance identification of the taxon.
|
| Long Abstract: Click Here |
|
| Poster C10 |
| Identification of novel inhibitors for ubiquitin C-terminal hydrolase-L3 by virtual screening |
| Kazunori Hirayama- Waseda University |
| Shunsuke Aoki (Kyushu Institute of Technology, Department of Bioscience and Bioinformatics); Kaori Nishikawa (Nat. Inst. of Neuroscience, NCNP, Dept. of Degenerative Neurological Diseases); Takashi Matsumoto (Waseda University, Department of Electrical Engineering and Bioscience, Graduate School of Advanced Science and Engineering); Keiji Wada (Nat. Inst. of Neuroscience, NCNP, Dept. of Degenerative Neurological Diseases); |
| Short Abstract: We screened for compounds with potential to inhibit activity of UCH-L3 (ubiquitin C-terminal hydrolase-L3), an apoptosis-associated de-ubiquitinating enzyme, using the UCH-L3 structure (1XD3) and the ChemBridge Compound Library. Using DOCK and GOLD software, we identified ten candidate compounds, and by enzymatic assay, we determined that three compounds are UCH-L3 inhibitors. |
| Long Abstract: Click Here |
|
| Poster C11 |
| The development of a "dynamic" receptor-based pharmacophore model for spermidine synthase from Plasmodium falciparum. |
| Pieter Burger- University of Pretoria |
| Lyn-Marie Birkholtz (University of Pretoria, Biochemistry); Fourie Joubert (University of Pretoria, Bioinformatics and Computational Biology Unit ); Shaun Reeksting (University of Pretoria, Biochemistry); Abraham Louw (University of Pretoria , Biochemistry); |
| Short Abstract: The development of "dynamic" receptor-based pharmacophore models (DPM) is an emerging technique in drug discovery, which aims to account for the inherent flexibility of proteins. Results from a DPM developed for spermidine synthase, a promising drug target in the polyamine pathway of P. falciparum, are presented. |
| Long Abstract: Click Here |
|
