Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling

Parisa Ghandforoushan; Saheleh Sheykhizadeh; Fatemeh Poureshghi; Mostafa Zakariazadeh; Somaieh Soltani

Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling

Abstract

Letrozole-HSA (human serum albumin) binding was studied using various spectroscopic techniques, MCR-ALS (multivariate curve resolution alternating least squares) chemometrics method, and molecular modelings. Binding constant at different temperatures, main interacted sites properties, thermodynamic parameters, HSA conformation in complex form was obtained using the relevant data. Due to the fluorescence emission wavelength overlap of LET and HSA, fluorescence emission enhancement was seen at the emission wavelength of 340 nm, following the excitation at 278 nm rather than fluorescence quenching. MCR-ALS analysis of UV-Vis absorption and fluorescence emission data approved the complex formation between LET and HSA. The fluorescence emission quenching was observed at 320 nm rather than 340 nm. The emission data were fitted to the Stern-Volmer, van't Hoff, and Hill models to calculate the quenching and binding constants. The results showed that LET binds to HSA with a binding constant of 2.25 × 104 M-1 that resembles the moderate binding capacity of LET to HSA. Furthermore, decreased biding constant at higher temperatures and decreased quenching constants at higher temperatures showed static quenching constant. Thermodynamic analysis and simultaneous competitive binding studies showed that LET interacts with HSA's subdomain IIA and IIIA mainly by hydrogen and Van der Waals bonds. The results agree with molecular modeling studies. FTIR and circular dichroism (CD) results revealed the reduced alpha-helical structure of HSA in LET-HSA complex compared to non-bound form.

Keywords

References

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Details

Primary Language

English

Subjects

Pharmacology and Pharmaceutical Sciences (Other)

Journal Section

Research Article

Authors

Parisa Ghandforoushan This is me
0000-0001-5036-1195
Iran

Saheleh Sheykhizadeh This is me
0000-0002-5986-989X
Iran

Fatemeh Poureshghi This is me
0000-0003-2676-7827
Norway

Mostafa Zakariazadeh This is me
0000-0003-3247-3876
Iran

Somaieh Soltani ^*
0000-0002-0102-2960
Iran

Publication Date

June 28, 2025

Submission Date

January 26, 2023

Acceptance Date

April 1, 2023

Published in Issue

Year 2024 Volume: 28 Number: 1

IZ

https://izlik.org/JA39YU37EX

Cite

RIS / Bibtex

APA

Ghandforoushan, P., Sheykhizadeh, S., Poureshghi, F., Zakariazadeh, M., & Soltani, S. (2025). Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling. Journal of Research in Pharmacy, 28(1), 1-15. https://izlik.org/JA39YU37EX

AMA

1.Ghandforoushan P, Sheykhizadeh S, Poureshghi F, Zakariazadeh M, Soltani S. Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling. J. Res. Pharm. 2025;28(1):1-15. https://izlik.org/JA39YU37EX

Chicago

Ghandforoushan, Parisa, Saheleh Sheykhizadeh, Fatemeh Poureshghi, Mostafa Zakariazadeh, and Somaieh Soltani. 2025. “Investigation of the Letrozole Interaction With Human Serum Albumin Using a Combination of MCR-ALS Chemometrics, Multi-Spectrometric and Molecular Modeling”. Journal of Research in Pharmacy 28 (1): 1-15. https://izlik.org/JA39YU37EX.

EndNote

Ghandforoushan P, Sheykhizadeh S, Poureshghi F, Zakariazadeh M, Soltani S (June 1, 2025) Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling. Journal of Research in Pharmacy 28 1 1–15.

IEEE

[1]P. Ghandforoushan, S. Sheykhizadeh, F. Poureshghi, M. Zakariazadeh, and S. Soltani, “Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling”, J. Res. Pharm., vol. 28, no. 1, pp. 1–15, June 2025, [Online]. Available: https://izlik.org/JA39YU37EX

ISNAD

Ghandforoushan, Parisa - Sheykhizadeh, Saheleh - Poureshghi, Fatemeh - Zakariazadeh, Mostafa - Soltani, Somaieh. “Investigation of the Letrozole Interaction With Human Serum Albumin Using a Combination of MCR-ALS Chemometrics, Multi-Spectrometric and Molecular Modeling”. Journal of Research in Pharmacy 28/1 (June 1, 2025): 1-15. https://izlik.org/JA39YU37EX.

JAMA

1.Ghandforoushan P, Sheykhizadeh S, Poureshghi F, Zakariazadeh M, Soltani S. Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling. J. Res. Pharm. 2025;28:1–15.

MLA

Ghandforoushan, Parisa, et al. “Investigation of the Letrozole Interaction With Human Serum Albumin Using a Combination of MCR-ALS Chemometrics, Multi-Spectrometric and Molecular Modeling”. Journal of Research in Pharmacy, vol. 28, no. 1, June 2025, pp. 1-15, https://izlik.org/JA39YU37EX.

Vancouver

1.Parisa Ghandforoushan, Saheleh Sheykhizadeh, Fatemeh Poureshghi, Mostafa Zakariazadeh, Somaieh Soltani. Investigation of the letrozole interaction with human serum albumin using a combination of MCR-ALS chemometrics, multi-spectrometric and molecular modeling. J. Res. Pharm. [Internet]. 2025 Jun. 1;28(1):1-15. Available from: https://izlik.org/JA39YU37EX