Naslov
Klasifikacija biljnih hormona auksina na temelju sličnosti njihovih polja interakcije i logP vrijednosti
(Classification of auxin related compounds based on similarity of their molecular interactions fields and logP prediction)

Autori
Tomić, Sanja ; Bertoša, Branimir ; Kojić-Prodić, Biserka

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

Izvornik
XVIII. hrvatski skup kemičara i kemijskih inžinjera, Sažetci, abstract / Zrinčević, Stanka - Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2003, 134-134

Skup
XVIII. hrvatski skup kemičara i kemijskih inžinjera

Mjesto i datum
Zagreb, Hrvatska, 16.02.2003. - 19.02.2003

Vrsta sudjelovanja
Poster

Vrsta recenzije
Domaća recenzija

Ključne riječi
auxin; logP prediction; molecular interaction field; similarity analysis; 3D QSAR

Sažetak
The activity of biological compounds is dependent on specific binding to target receptors and ADME (Administration, Distribution, Metabolism and Excretion) properties. A challenge of predicting biological activity is to consider both these types of contributions simultaneously in deriving quantitative models. We present a novel approach to deriving QSAR models combinig similarity analysis of molecular interaction fields (MIFs) and compounds related to the auxin plant growth hormone that we had previously classified on the basis of similarity of their interaction fields alone, and the additional set of about thirty compounds with measured auxin activity. Taking into account the influence of the logP value on biological activity the classification of the auxin related compounds improved and the majority of auxin related compounds were classified in accord with their experimental data.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA