Predavanje Prof. Dr. Andreas Bender, Ponedeljek 22.5. ob 13:00

[Brigita Pirc]

Vabilo na inštitutsko predavanje / Invitation to the institute lecture


Prof. Dr. Andreas Bender

Centre for Molecular Informatics, University of Cambridge, UK
e-mail: ab454 at cam.ac.uk<mailto:ab454 at cam.ac.uk%20>

Ponedeljek / Monday 22. 5. 2017, ob / at 13:00
Velika predavalnica Kemijskega inštituta / Great Lecture Hall, National Institute of Chemistry;  Hajdrihova 19, Ljubljana

Chemical and Biological Data
From Compound Selection to Mode of Action Analysis (and Back Again)

More and more chemical and biological information is becoming available, both in public databases as well as in company repositories. However, how to make use of this information in chemical biology and drug discovery settings is much less clear.
In this work, we will discuss how chemical and biological information from different domains – such as compound bioactivity data, pathway annotations from the bioinformatics domain, and gene expression data – can be used for a variety of purposes, such as the mode-of-action analysis from phenotypic readouts, anticipating compound toxicities in early discovery and during lead optimization based on gene expression data, and for designing and selecting compounds with the desired bioactivities against a range of protein targets as well as cell lines. Another application of much relevance to screening is the design of screening libraries, where we have explored the impact of cytotoxicity in such libraries, iterative screening and the utilization of ‘informer sets'. Finally, the modelling of compound mixtures will be discussed in this overview presentation of the work taking place in our research group, where we will present prospective research projects covering diverse biological systems, such as Plasmodium falciparum screens and others.
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2.            Drakakis G, et al. MedChemComm 2014, 5, 386 – 396.
3.            Verbist B, et al. Drug Discov. Today 2015, 20, 505 – 513.
4.            Van Westen GJP, et al. PLoS Comp. Biol. 2013, 9, e1002899.
5.            Cortes-Ciriano I, et al. Bioinformatics 2016, 32, 85 – 95.
6.            Mervin, LH, et al. ACS Chem. Biol. 2016 (ASAP Article, DOI: 10.1021/acschembio.6b00538)
7.            Paricharak S, et al. ACS Chem. Biol. 2016, 1255 – 1264.
8.            Paricharak S, et al. J. Chem. Inf. Model. 2016, 56, 1622 – 1630.
9.            Bulusu KC, et al. Drug Discov. Today 2016, 21, 225 – 238.

info: janez.mavri at ki.si<mailto:janez.mavri at ki.si>

***
Z lepimi pozdravi,



Brigita Pirc
Odnosi z javnostmi / Public Relations

[KI]

[KI]



Kemijski inštitut / National Institute of Chemistry
Hajdrihova 19
SI-1000 Ljubljana
Slovenija / Slovenia
Telefon / Phone: 00386 1 476 02 25
brigita.pirc at ki.si<mailto:brigita.pirc at ki.si>     www.ki.si<http://www.ki.si/>






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