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BioinformticaEstructural
Introduccin a la Bioinformtica
Estructural
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Mauricio Arenas.
[email protected]
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Que es Bioinformtica
estructural?O Es una subdisciplina de la bioinformtica quese
encarga de representar, almacenar,
recuperar, analizar y mostrar la informacinestructural a escala
subcelular y atmica.O Tiene dos grandes objetivos:
O La creacin de mtodos para la manipulacinde informacin de
macromolculas biolgicasO Aplicacin de estos u otros mtodos
pararesolver problemas biolgicos y crear nuevoconocimiento.
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Porque surge?O Primero: el incremento en la cantidad de
datos
experimentales sobre secuencias (aminoacidicas y
nucleotidicas), que ha producido el desarrollo demtodos
computacionales y algoritmos para realizar
alineamientos de pares, mltiples, bsqueda y
definicin de motivos, as como tambin el uso de
modelos probabilsticos como las cadenas ocultas
de Markov para buscar genes.
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Porque surge?O Segundo: el incremento en la cantidad de
datos
disponibles sobre informacin estructural de
macromolculas que ha permitido aumentar elinters de la
computacin en desarrollar nuevos
mtodos para el anlisis geomtrico, computacin
grafica (CUDA), creacin de algoritmos y software
para el anlisis de datos cristalogrficos. En estepunto es donde
la Bioinformtica estructural surge.
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Premios Nobel asociados a cristalografa o
estructuras molecularesO 2012 Chemistry. R. J. Lefkowitz and B.
K. KobilkaFor studies of G-protein-coupled receptors
O 2011 Chemistry.. D. Shechtman.
For the discovery of quasicrystals
O 2010 Physics. A. Geim and K. Novoselov
For groundbreaking experiments regarding the
two-dimensionalmaterial graphene
O 2009 Chemistry. V. Ramakrishnan, T. A. Steitz and A. E.
YonathStudies of the structure and function of the ribosome
O 2006 Chemistry. R. D. Kornberg.
Studies of the molecular basis of eukaryotic transcription
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Premios Nobel asociados a cristalografa o
estructuras molecularesO 2003 Chemistry. R. MacKinnonPotassium
channels
O 1997 Chemistry. P. D. Boyer, J. E. Walker and J. C. Skou
Elucidation of the enzymatic mechanism underlying the synthesis
of adenosine
triphosphate (ATP) and discovery of an ion-transporting
enzyme
O 1996 Chemistry. R.Curl, H. Kroto and R. Smalley
Discovery of the fullerene form of carbon
O 1994 Physics. C. Shull and N. BrockhouseNeutron
diffraction
O 1992 Physics. G. Charpak
Discovery of the multi wire proportional chamber
O 1991 Physics.P.-G. de Gennes
Methods of discovering order in simple systems can be applied to
polymers and liquidcrystals
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Premios Nobel asociados a cristalografa o
estructuras molecularesO 1988 Chemistry. J. Deisenhofer, R.
Huber and H. MichelFor the determination of the three-dimensional
structure of a photosynthetic reaction centre
O 1985 Chemistry. H. Hauptman and J. Karle
Development of direct methods for the determination of crystal
structures
O 1982 Chemistry. A. KlugDevelopment of crystallographic
electron microscopy and discovery of the structure of
biologicallyimportant nucleic acid and protein complexes
O 1976 Chemistry. W. N. Lipscomb
Structure of boranes
O 1972 Chemistry. C. B. AnfinsenFolding of protein chains
O 1964 Chemistry. D. Hodgkin
Structure of many biochemical substances including Vitamin
B12
O 1962 Physiology or Medicine. F. Crick, J. Watson and M.
Wilkins
The helical structure of DNA 7
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Premios Nobel asociados a cristalografa o
estructuras molecularesO 1962 Chemistry. J. C. Kendrew and M.
Perutz
For their studies of the structures of globular proteins
O 1954 Chemistry. L. C. PaulingFor his research into the nature
of the chemical bond and its application to the elucidation
of the structure of complex substances
O 1946 Chemistry. J. B. Sumner
For his discovery that enzymes can be crystallised
O 1937 Physics. C. J. Davisson and G. Thompson
Diffraction of electrons by crystals
O 1936 Chemistry. P. J. W. DebyeFor his contributions to our
knowledge of molecular structure through his investigations
on dipole moments and on the diffraction of X-rays and electrons
in gases
O 1929 Physics. L.-V. de Broglie
The wave nature of the electron8
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Premios Nobel asociados a cristalografa o
estructuras molecularesO 1917 Physics. C. G. Barkla
Discovery of the characteristic Rntgen radiation of
theelements
O 1915 Physics. W. H. Bragg and W. L. BraggUse of X-rays to
determine crystal structure
O 1914 Physics. M. Von Laue
Diffraction of X-rays by crystals
O 1901 Physics. W. C. RntgenDiscovery of X-rays
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Incremento en las tecnologas
asociadas a determinacin deestructurasO Robot para
cristalografa
O Mtodos automatizados de purificacin de protenas
O Automatizacin de softwares de anlisis de datos
O NMR
La cantidad de datos disponibles permiten generarestadsticas
para encontrar reglas, motivos para predecirsitios de unin, sitios
activos, funciones, etc.
Vinculando la informacin estructural con otras fuentes
deinformacin , para poder entender procesos y vascelulares.
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