Od matematike do razvoja zdravil

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Title:	Od matematike do razvoja zdravil
Authors:	ID Janežič, Dušanka (Author)
Files:	http://versita.metapress.com/content/b15w68584w147510/fulltext.pdf
Language:	Slovenian
Work type:	Not categorized
Typology:	1.02 - Review Article
Organization:	IAM - Andrej Marušič Institute
Abstract:	Razvoj novih zdravil je dolgotrajen in drag proces, saj celotni postopek od ideje do končnega izdelka običajno zahteva vsaj deset let raziskav in več kot milijardo dolarjev. Z uporabo novih matematičnih pristopov in modernih računalnikov skušamo skrajšati in poceniti predvsem zgodnje faze razvoja, pri čemer nas zanimajo tarčne biološke molekule, ki so vpletene v potek različnih bolezni. V Laboratoriju za molekularno modeliranje na Kemijskem inštitutu v Ljubljani razvijamo nova matematična orodja za uporabo na področju razvoja novih zdravil. Z algoritmi, ki temeljijo na teoriji grafov in metodah simulacije molekulske dinamike, preučujemo tarčne biološke molekule in pridobivamo pomembne podatke za optimiziranje zgodnjih stopenj razvoja novih zdravil.
Keywords:	simulacija molekulske dinamike, teorija grafov, razvoj zdravil
Year of publishing:	2012
Number of pages:	str. 97-110
Numbering:	Letn. 28, št. 2
PID:	20.500.12556/RUP-1402
ISSN:	1318-2927
UDC:	577:519.17
COBISS.SI-ID:	5045786
Publication date in RUP:	15.10.2013
Views:	3624
Downloads:	43
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Language:	English
Abstract:	Drug development is a lengthy and expensive process that requires at least tenyears of research and more than a billion dollars in resources from idea tofinal product. The use of new mathematical approaches and modern computer 98Janežič D. Od matematike do razvoja zdravil technologies allows us to reducethe time and cost, mainly in the early stages of drug development. We are mostly interested in target biological molecules present in the course various diseases. At the Laboratory for Molecular Modeling, National Instituteof Chemistry in Ljubljana, we develop new mathematical tools to be used in the discovery of new drugs. With algorithms based on graph theory and molecular dynamics simulation we study target biological molecules and gather important data to optimise the early stages of drug development.
Keywords:	molecular dynamics simulation, graph theory, drug development

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