Exploring spectroscopic insights into molecular recognition of potential anti-Alzheimer's drugs within the hydrophobic pockets of beta-cycloamylose
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00023752%3A_____%2F20%3A43920461" target="_blank" >RIV/00023752:_____/20:43920461 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/00216208:11110/20:10412774 RIV/60162694:G44__/20:00555939 RIV/00179906:_____/20:10412774 RIV/62690094:18470/20:50017023
Výsledek na webu
<a href="https://www.sciencedirect.com/science/article/pii/S0167732220318237?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0167732220318237?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2020.113269" target="_blank" >10.1016/j.molliq.2020.113269</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Exploring spectroscopic insights into molecular recognition of potential anti-Alzheimer's drugs within the hydrophobic pockets of beta-cycloamylose
Popis výsledku v původním jazyce
Over the years, reports on quantitative analysis of complexation between anti-Alzheimer's drugs and β-cycloamylose (β-CA) are lacking. Hence, a new kind of investigation on host-guest complexation of two novel and potential anti-Alzheimer's drugs referred to as compounds 1 and 2 with β-CA has been studied for a range of temperatures (293, 298, 305 K) using spectroscopic techniques at physiological pH. The evaluated association constant (Ka) and thermodynamic parameters [Gibb's free energy (ΔG), enthalpy (ΔH) and entropy (ΔS)] for these relatively novel host-guest complexes accessed a clear indication for the development of inclusion complexes (ICs) between them. The validation of such novel ICs has been critically accounted from FTIR, 1H NMR, COSY and NOESY spectroscopy. These new set of ICs were found to have 1:1 stoichiometry via. Job's plot for both the inclusions (compound 1 + β-CA and compound 2 + β-CA) and association constant (Ka) advocates the highest stability for compound 2 + β-CA. Highlighting the biochemical approach of these novel ICs, they were individually incorporated within β-CA for studying their inhibitory effect on mitochondrial respiratory rate and their respective IC50 values were also calculated. The outcome of the present study conveys superiority of such ICs in enriching the anti-Alzheimer's drugs properties so they could have profound application in in vivo analysis.
Název v anglickém jazyce
Exploring spectroscopic insights into molecular recognition of potential anti-Alzheimer's drugs within the hydrophobic pockets of beta-cycloamylose
Popis výsledku anglicky
Over the years, reports on quantitative analysis of complexation between anti-Alzheimer's drugs and β-cycloamylose (β-CA) are lacking. Hence, a new kind of investigation on host-guest complexation of two novel and potential anti-Alzheimer's drugs referred to as compounds 1 and 2 with β-CA has been studied for a range of temperatures (293, 298, 305 K) using spectroscopic techniques at physiological pH. The evaluated association constant (Ka) and thermodynamic parameters [Gibb's free energy (ΔG), enthalpy (ΔH) and entropy (ΔS)] for these relatively novel host-guest complexes accessed a clear indication for the development of inclusion complexes (ICs) between them. The validation of such novel ICs has been critically accounted from FTIR, 1H NMR, COSY and NOESY spectroscopy. These new set of ICs were found to have 1:1 stoichiometry via. Job's plot for both the inclusions (compound 1 + β-CA and compound 2 + β-CA) and association constant (Ka) advocates the highest stability for compound 2 + β-CA. Highlighting the biochemical approach of these novel ICs, they were individually incorporated within β-CA for studying their inhibitory effect on mitochondrial respiratory rate and their respective IC50 values were also calculated. The outcome of the present study conveys superiority of such ICs in enriching the anti-Alzheimer's drugs properties so they could have profound application in in vivo analysis.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2020
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Journal of Molecular Liquids
ISSN
0167-7322
e-ISSN
—
Svazek periodika
311
Číslo periodika v rámci svazku
August
Stát vydavatele periodika
NL - Nizozemsko
Počet stran výsledku
12
Strana od-do
113269
Kód UT WoS článku
000545303600022
EID výsledku v databázi Scopus
2-s2.0-85084654267