Naslov
Sequence attributes for estimating the therapeutic index of peptide antibiotics

Autori
Juretić, Davor ; Bojović, Viktor ; Lučić, Bono

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

Izvornik
The 2nd Opatija Meeting on Computational Solutions in the Life Sciences / Darko Babić, Nađa Došlić, David Smith, Sanja Tomić, Kristian Vlahoviček - Zagreb : Institut Ruđer Bošković, 2007, 19-19

ISBN
978-953-6690-69-5

Skup
2nd Opatija meeting on Computational Solutions in the Life Sciences

Mjesto i datum
Opatija, Hrvatska, 04.09.2007. - 09.09.2007

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
peptide antibiotics; therapeutic index; amphipathicity; amino acid frequencies; membrane helix preferences; structure-activity relationships

Sažetak
The therapeutic index (TI) of peptide antibiotics is defined as the ratio of hemolytic to antimicrobial activity. We constructed the database of 51 non-homologous helical antimicrobial peptides, isolated from frogs, with associated therapeutic index values determined on E. coli and human erythrocytes. Sequence attributes calculated by the SPLIT 3.5 server (split.pmfst.hr/split) are used for developing relationships between peptide structure and its therapeutic index. Helical amphipathic segments and G, Q, H, D, E amino acid frequencies are positively correlated with TI. High preferences for transmembrane helix conformation are negatively correlated with TI. The composite predictor is developed as a specific combination of these sequence-based parameters. Corresponding log-log model for estimating the therapeutic index exhibits good correlation (r = 0.9) with experimental TI values.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Biologija

POVEZANOST RADA