Post on 23-Jan-2016
Bioinformática
Predicción estructural y funcionalMáster Biomedicina 2009-10
Programa
Introducción Bases de datos biológicas Comparación de secuencia y búsqueda de
homología Predicción funcional Predicción estructural Seminarios
http://mmb.pcb.ub.es/MBIOMED/bioinformatica/
Material y Evaluación
Ejercicios y presentaciones http://mmb.pcb.ub.es/MBIOMED/bioinformatica Campus Virtual
Evaluación. Pruebas prácticas 12 Nov. “control” 24 Nov. “secuencia” 25 Nov. “estructura”
Bioinformaticsintuitive definition
Informatic tools that can suggest solutions to biological problems
You really understand a system when you are able to represent it using a mathematical equation
Lord Kelvin
Living organisms are the most perverse of chemical systems
Coulson
FEBRUARY 2001:
Consorcio Público
Celera Genomics NOVIEMBRE 2001 :
Ohio State University
SequencingParalel / combinatorial synthesisHT ScreeningSeparationPurificationCrystallization...
DATA INFORMATION
Bioinformatics
Genome projects Functional genomics Structural genomics Proteomics, systems biology Molecular recognition …
Genome projects
Massivesequencing
Massivesequencing
Genome Determinations
Genome Determinations
Genome Annotation
Genomics and disease
http://www.ncbi.nlm.nih.gov/genomes/static/gpstat.html+ 2124 Virus
http://www.ncbi.nlm.nih.gov/mapview/map_search.cgi?taxid=9606&build=previous
Functional genomics
DNA-chips….
DNA-chips….
Image processingData mining
Expressionprofiles
Expressionprofiles
Statistical analysis
Statistical analysis
Clustering Machine learning
methods Ontology
http://www.ncbi.nlm.nih.gov/geo/
Structural genomics
X RayNMR
X RayNMR
Homology
3D Structure
3D Structure
Structure selection
3DStructure
3DStructure
Structure-functionNew biomolecules
Structure-functionNew biomolecules
Structure-function analysis
Molecular modeling
Recognition ability is the basis of biological function
3D structure is key for recognition
Rosalyn Franklin
Mapa difracciónB-DNA
COX-2 ADA
XOFKBP
ATP (Mg) - ACV
Dynamic properties.
Molecular recognition requires structural adjustment
Proteomics
ProteomaProteoma MetabolomaMetaboloma
System biology
HUMAN PLASMA
http://www.imb-jena.de/jcb/ppi/
Barabasi et al. (and others), since 1999
Pazos et al., EMBO Reports 2003
Combinatorial chemistry/HTS
Massive Synthesisand analysis
Massive Synthesisand analysis New drugsNew drugs
Library design
Molecular ModelingDocking
Virtual screening
Prediction. Possible scenarios1. Homology can be recognized using sequence
comparison tools or protein family databases (blast, clustal, pfam,...).Structural and functional predictions are feasible
2. Homology exist but cannot be recognized easily (psi-blast, threading)Low resolution fold predictions are possible. No functional
information.
3. No homology1D predictions. Sequence motifs. Limited functional
prediction. Ab-initio prediction
Reminder
Bioinformatics “suggests” answers, experimental proof is still necessary
Bioinformatics can “save work”. Hypothesis can be tested “in silico”
Bioinformatics can do impossible experiments
However, never trust bioinformatics