Pregled bibliografske jedinice broj: 761152
Prediction of stability constants for copper(II) binding to tetrapeptides containing histidyl residue with graph-theoretical method
Prediction of stability constants for copper(II) binding to tetrapeptides containing histidyl residue with graph-theoretical method // International journal of chemical modeling, 6 (2014), 2-3; 301-309 (podatak o recenziji nije dostupan, članak, znanstveni)
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Naslov
Prediction of stability constants for copper(II) binding to tetrapeptides containing histidyl residue with graph-theoretical method
Autori
Miličević, Ante ; Raos, Nenad
Izvornik
International journal of chemical modeling (1941-3955) 6
(2014), 2-3;
301-309
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Coordination compounds; Stability constants; Topological indices; Regression models
Sažetak
The stability of copper(II) complexes with two sets, four glycine and five non-glycine, tetrapeptides containing one histidyl residue were correlated to their valence molecular connectivity index of the 3rd order, 3χv. For both peptide sets the first donor is imidazole group of histidyl residue (1N complex), and after the deprotonation of nitrogens in peptide bonds, 2N, 3N, and 4N complexes were formed. Correlations of log β‘s to 3χv for the complexes of each peptide gave excellent statistics (S.E. = 0.03 - 0.22). By introduction of indicator variables common models were developed which yielded S.E. = 0.17 and 0.19 for glycine and non-glycine peptide complexes, respectively.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut za medicinska istraživanja i medicinu rada, Zagreb
