Study on the interaction of three classical drugs used in psychiatry in albumin through spectrofluorimetric modeling

Coura, Carla Patrícia de Morais e; Fragoso, Viviane Muniz da Silva; Valdez, E. C. N.; Paulino, Erica Tex; Silva, Dı́lson; Cortez, Célia Martins

doi:10.1016/j.saa.2021.119638

Cited by 4 publications

(3 citation statements)

References 37 publications

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“…Moreover, molecular docking demonstrated that BSH binds to HSA with a favorable binding score and this binding occurs spontaneously. It was also found that HSA interacts with subdomains IIA, IIIA, and IIB, which is consistent with the results obtained from molecular docking of other antidepressants such as biperiden, haloperidol, and clonazepam [ 37 ]. However, considering the high binding tendency of warfarin and bilirubin to bind to subdomain IIA, as well as the high tendency of digitoxin and ibuprofen to bind to subdomain IIIA compared to BSH, the probability of these compounds binding to these sites on HSA is higher than BSH [ 38 ].…”

Section: Discussionsupporting

confidence: 87%

Insights into the binding of buspirone to human serum albumin using multi-spectroscopic and molecular docking techniques

Sargolzaei,

Jalali,

Rajabi

2024

Heliyon

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Section: Discussionsupporting

confidence: 87%

Insights into the binding of buspirone to human serum albumin using multi-spectroscopic and molecular docking techniques

Sargolzaei,

Jalali,

Rajabi

2024

Heliyon

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“…The fluorescence parameters were set as the excitation wavelength of 280 nm, the emission wavelength of 300–400 nm, and the excitation and emission slit width of 2.5 nm. The fluorescence quenching constants were calculated through the Stern‐Volmer equation (Coura et al, 2021) (Equation 4) as follows:

\frac{F_{0}}{F} goodbreak= 1 goodbreak+ K_{SV} (][, Q) goodbreak= 1 goodbreak+ K_{q} τ_{0} (][, Q),

where F 0 and F are the fluorescence intensity of α‐glucosidase without and with a quencher, respectively. K SV and K q represent the Stern‐Volmer quenching constant and quenching rate constant, respectively.…”

Section: Methodsmentioning

confidence: 99%

“…The fluorescence parameters were set as the excitation wavelength of 280 nm, the emission wavelength of 300-400 nm, and the excitation and emission slit width of 2.5 nm. The fluorescence quenching constants were calculated through the Stern-Volmer equation (Coura et al, 2021) (Equation 4) as follows:…”

Section: Fluorescence Titration Assaysmentioning

confidence: 99%

Inhibitory activity and mechanism of guavinoside B from guava fruits against α‐glucosidase: Insights by spectroscopy and molecular docking analyses

Zhang

et al. 2022

Journal of Food Biochemistry

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Guavinoside B (GUB) is the main active substance in guava fruit and shows promising biological activities. In this study, the inhibitory activity and mechanism of GUB on α-glucosidase were studied by using spectroscopic techniques, kinetic analysis, and molecular docking. Results indicated that GUB possessed significant inhibition ability on α-glucosidase, which was about 10 times that of acarbose. The GUB was a mixed-type inhibitor, which suppressed the activity of α-glucosidase through a reversible process. Fluorescence analysis revealed that GUB quenched the fluorescence of α-glucosidase statically, the formation of GUBα-glucosidase complex was a spontaneous and exothermic process, van der Waals forces, hydrogen bonding, and hydrophobic interaction were the predominant driving forces, only one single-binding site on α-glucosidase was involved in the binding process. GUB inserted into the hydrophobic pocket of α-glucosidase with 11 hydrogen bonds and two π-π stacking formed. The presence of GUB changed the microenvironment near the fluorescent amino acids of α-glucosidase, and the structure of α-glucosidase was slightly changed, eventually leading to the decrease of α-glucosidase activity. Practical applicationsDiabetes mellitus (DM) is a worldwide chronic metabolic disease threatening human health seriously. Guava fruit is a popular fruit, and its extracts were reported to show many biological activities. GUB is the main benzophenone glycoside in guava fruits.However, the inhibitory activity and mechanism of its specific active compound GUB are still unclear. Studies have shown that GUB could reversibly inhibit the activity of α-glucosidase, and its inhibitory ability was about 10 times that of acarbose. The kinetics and mechanism of inhibition were revealed. These will facilitate the further research and application of guava fruit and GUB in functional and healthy foods against hyperglycinaemia or even DM.

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Studies on the binding of wedelolactone to human serum albumin with multi-spectroscopic analysis, molecular docking and molecular dynamic simulation

Liu,

Yuan,

Zhao

et al. 2024

Biophysical Chemistry

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Study on the interaction of three classical drugs used in psychiatry in albumin through spectrofluorimetric modeling

Cited by 4 publications

References 37 publications

Insights into the binding of buspirone to human serum albumin using multi-spectroscopic and molecular docking techniques

Insights into the binding of buspirone to human serum albumin using multi-spectroscopic and molecular docking techniques

Inhibitory activity and mechanism of guavinoside B from guava fruits against α‐glucosidase: Insights by spectroscopy and molecular docking analyses

Studies on the binding of wedelolactone to human serum albumin with multi-spectroscopic analysis, molecular docking and molecular dynamic simulation

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