Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Thermodynamics and binding mode of novel structurally related 1,2,4-thiadiazole derivatives with native and modified cyclodextrins. / Terekhova, Irina V.; Chislov, Mikhail V.; Brusnikina, Maria A.; Chibunova, Ekaterina S.; Volkova, Tatyana V.; Zvereva, Irina A.; Proshin, Alexey N.
в: Chemical Physics Letters, Том 671, 2017, стр. 28-36.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
}
TY - JOUR
T1 - Thermodynamics and binding mode of novel structurally related 1,2,4-thiadiazole derivatives with native and modified cyclodextrins
AU - Terekhova, Irina V.
AU - Chislov, Mikhail V.
AU - Brusnikina, Maria A.
AU - Chibunova, Ekaterina S.
AU - Volkova, Tatyana V.
AU - Zvereva, Irina A.
AU - Proshin, Alexey N.
N1 - Publisher Copyright: © 2017 Elsevier B.V. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2017
Y1 - 2017
N2 - Study of complex formation of cyclodextrins with 1,2,4-thiadiazole derivatives intended for Alzheimer's disease treatment was carried out using1H NMR, ITC and phase solubility methods. Structure of cyclodextrins and thiadiazoles affects the binding mode and thermodynamics of complexation. The larger cavity of β- and γ-cyclodextrins is more appropriate for deeper insertion of 1,2,4-thiadiazole derivatives which is accompanied by intensive dehydration and solvent reorganization. Benzene ring of the thiadiazoles is located inside macrocyclic cavity while piperidine ring is placed outside the cavity and can form H-bonds with cyclodextrin exterior. Complexation with cyclodextrins induces the enhancement of aqueous solubility of 1,2,4-thiadiazole derivatives.
AB - Study of complex formation of cyclodextrins with 1,2,4-thiadiazole derivatives intended for Alzheimer's disease treatment was carried out using1H NMR, ITC and phase solubility methods. Structure of cyclodextrins and thiadiazoles affects the binding mode and thermodynamics of complexation. The larger cavity of β- and γ-cyclodextrins is more appropriate for deeper insertion of 1,2,4-thiadiazole derivatives which is accompanied by intensive dehydration and solvent reorganization. Benzene ring of the thiadiazoles is located inside macrocyclic cavity while piperidine ring is placed outside the cavity and can form H-bonds with cyclodextrin exterior. Complexation with cyclodextrins induces the enhancement of aqueous solubility of 1,2,4-thiadiazole derivatives.
KW - 1,2,4-Thiadiazole derivatives
KW - Alzheimer's disease
KW - Complex formation
KW - Cyclodextrins
KW - Solubility
KW - Spectroscopy
KW - Thermodynamics
UR - http://www.scopus.com/inward/record.url?scp=85009188372&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2017.01.010
DO - 10.1016/j.cplett.2017.01.010
M3 - Article
AN - SCOPUS:85009188372
VL - 671
SP - 28
EP - 36
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -
ID: 70818053