Naslov
A QSAR study of amide-type harmicines as potential antimalarials

Autori
Rimac, Hrvoje ; Marinović, Marina ; Rajić, Zrinka

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

Izvornik
27th Croatian Meeting of Chemists and Chemical Engineers, Book of Abstracts / Marković, Dean ; Meštrović, Ernest ; Namjesnik, Danijel ; Tomašić, Vesna - Zagreb : Hrvatsko kemijsko društvo, 2021, 192-192

Skup
27. hrvatski skup kemičara i kemijskih inženjera (27HSKIKI)

Mjesto i datum
Veli Lošinj, Hrvatska, 05.10.2021. - 08.10.2021

Vrsta sudjelovanja
Poster

Vrsta recenzije
Domaća recenzija

Ključne riječi
antimalarial ; amide-type harmicines ; QSAR ; cinnamic acid derivatives

Sažetak
Malaria is a devastating parasitic disease that causes considerable morbidity and mortality worldwide [1]. As a continuation of our research, a QSAR model of antimalarial activity of forty novel amide-type harmicines has been developed. A multiple linear regression model was constructed connecting the logarithm of the IC50 for the selected compounds with their maximum projection area, number of atoms and the presence of the substituent in the para position of cinnamic acid derivatives. The RMSE, R2, and MAE values were 0.29, 0.89, and 0.25, respectively, showing a very good correlation between the predicted and the experimental IC50 values. The obtained results will be useful for further development of novel and more effective amide-type harmicines.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Farmacija

POVEZANOST RADA