Studies of the Novel Bioactive Acridine‐1,3‐thiazolidin‐4‐one Derivatives With Human Serum Albumin Using Fluorescence Spectroscopy and Molecular Modelling DOI

Eva Konkoľová,

Martina Miháliková,

Katarzyna E. Nowak

и другие.

Luminescence, Год журнала: 2024, Номер 39(12)

Опубликована: Дек. 1, 2024

ABSTRACT In this study, we employ spectroscopic, thermodynamic and molecular docking approaches to identify the mechanism by which thiazolidinone derivatives 4a – 4d bind with human serum albumin. It has been suggested that affinity of interaction HSA is within optimal range necessary for transportation distribution compounds organism. The binding constant values derivative/HSA complexes were found be 0.03–5.87 × 10 5 M −1 . Both Δ H 0 S negative, indicates occurs mainly through van der Waals forces hydrogen bonding. negative calculated G indicate a spontaneous process. Our study also reveals subdomain IB (Site III) alters conformation stability HSA. Molecular simulations suggest main are interactions, hydrophobic interactions bonds. studied showed weak DPPH‐scavenging activity at all tested concentrations. results compound 4b phenyl substituent nitrogen atom 1,3‐thiazolidin‐4‐one moiety can considered most potent antioxidant in series.

Язык: Английский

Evaluation of anticancer capacity, catalase interactions, molecular docking, and antioxidant studies of some diamagnetic (Pd, Pt, and Zn) Schiff base complexes DOI
Somaye Shahraki, Effat Dehghanian,

Kobra Shahraki

и другие.

Inorganica Chimica Acta, Год журнала: 2025, Номер unknown, С. 122642 - 122642

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

1
Elucidating the physicochemical interactions between fibrinogen and surfactant mixtures: Implications for pharmaceutical sciences DOI Creative Commons
Ramón Rial, Michael González‐Durruthy, Juan M. Ruso

и другие.

International Journal of Biological Macromolecules, Год журнала: 2025, Номер 299, С. 140265 - 140265

Опубликована: Янв. 23, 2025

Язык: Английский

Процитировано

0
Binding Mechanism Between Iron‐Related Proteins (Catalase and Transferrin) and Favipiravir DOI
Somaye Shahraki, Fereshteh Shiri, Razieh Nejat

и другие.

ChemistrySelect, Год журнала: 2025, Номер 10(7)

Опубликована: Фев. 1, 2025

Abstract The study of protein‐drug interactions has become important in describing drug properties. Favipiravir ( Fav ) is an RNA polymerase inhibitor used to treat a wide range influenza viruses. This drug, which taken orally, can be quickly and widely absorbed the body. Here, interaction with two Fe‐related proteins, Catalase (CAT) Transferrin (TF), was investigated by spectroscopic molecular docking methods. results showed that strongly interact Fe‐proteins quench their intrinsic fluorescence through static mechanism. affinity CAT TF almost close each other order 10 6 M −1 K b = 9.54 × for ‐TF 10.71 ‐CAT at 310 K). binding proteins changed conformation some extent stability decreased. Molecular best site on both along types involved. Hydrogen bonds van der Waals were predominant forces observed between proteins. Accessible surface area supports successful CAT.

Язык: Английский

Процитировано

0
Studies of the Novel Bioactive Acridine‐1,3‐thiazolidin‐4‐one Derivatives With Human Serum Albumin Using Fluorescence Spectroscopy and Molecular Modelling DOI

Eva Konkoľová,

Martina Miháliková,

Katarzyna E. Nowak

и другие.

Luminescence, Год журнала: 2024, Номер 39(12)

Опубликована: Дек. 1, 2024

ABSTRACT In this study, we employ spectroscopic, thermodynamic and molecular docking approaches to identify the mechanism by which thiazolidinone derivatives 4a – 4d bind with human serum albumin. It has been suggested that affinity of interaction HSA is within optimal range necessary for transportation distribution compounds organism. The binding constant values derivative/HSA complexes were found be 0.03–5.87 × 10 5 M −1 . Both Δ H 0 S negative, indicates occurs mainly through van der Waals forces hydrogen bonding. negative calculated G indicate a spontaneous process. Our study also reveals subdomain IB (Site III) alters conformation stability HSA. Molecular simulations suggest main are interactions, hydrophobic interactions bonds. studied showed weak DPPH‐scavenging activity at all tested concentrations. results compound 4b phenyl substituent nitrogen atom 1,3‐thiazolidin‐4‐one moiety can considered most potent antioxidant in series.

Язык: Английский

Процитировано

0