Naslov
Thermodynamic and structural studies of anion binding by linear penta-homopeptides

Autori
Modrušan, Matija ; Divjak, Toni ; Vidović, Nikolina ; Cindro, Nikola ; Speranza, Giovanna ; Horvat, Gordan ; Tomišić, Vladislav

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

Izvornik
Adriatic NMR Conference 2021 : Book of abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena - Zagreb : Hrvatsko kemijsko društvo, 2021, 67-67

Skup
The Adriatic NMR Conference 2021

Mjesto i datum
Primošten, Hrvatska, 13.09.2021. - 15.09.2021

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
anion receptors ; homopeptides ; NMR ; thermodynamics

Sažetak
Cyclic peptides have recently attracted continually growing interest due to their unique chemical and biological properties. In the synthesis of these compounds, regardless of the macrocyclization strategy, the main factor that affects the success of a ring closure reaction is the conformational preorganization, that is the ability of a linear precursor to bring its reactive termini in the close spatial proximity. This can be achieved by complexation of suitable templating agent. In this work, the binding affinities of two linear peptides towards several anions in solution were studied by means of microcalorimetric and 1H NMR titrations as well as classical molecular dynamics simulations. The obtained thermodynamic results were discussed regarding the structural properties of the receptors and substrates.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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