Naslov
Molecular modeling of nucleic acid - small molecule interactions
(Guanidiniocarbonyl-pyrrole-aryl conjugates as nucleic acid sensors: switch of binding mode and spectroscopic response's)

Autori
Tomić, Sanja ; Grabar, Marina ; Piantanida, Ivo

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts Regional Biophysical Conference 2012 / Zakrzewska, Joanna, Živić, Miroslav, Andjus, Pavle - Beograd : Društvo biofizičara Srbije, 2012, 13-13

ISBN
978-86-904161-2-7

Skup
Regional Biophysical Conference 2012

Mjesto i datum
Kladovo, Srbija, 03.09.2012. - 07.09.2012

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
nucleic acid; intercalator; groov binder; sensors

Sažetak
Specific interactions of small molecules with nucleic acids have attracted significant scientific interest due to their possible medicinal, biochemical and biological importance. However, often the small molecules interact with the nucleic acid non-specifically and according to the binding mode they are considered as intercalators, groove (minor or major) binders and external electrostatic binder. For the purpose of developing new more selective drugs and biochemical markers we combine computational, molecular modeling approach with the experimental, mostly spectroscopic results. I will speak about results of our recent molecular modeling studies on two different sets of small molecules specifically interacting with nucleic acids. The first is related to guanidiniocarbonyl-pyrrole-pyrene conjugates which show distinctively different binding mode to ds-DNAs in comparison to ds-RNAs, accompanied with specific spectroscopic response, thus behaving as nucleic acid sensors. The second are benzimidazole translation inhibitors of the hepatitis C virus RNA.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA