Tayyab, Saad and Magesvaran, Milisha Koh A. and Kabir, Md. Zahirul and Ridzwan, Nor Farrah Wahidah and Mohamad, Saharuddin (2021) Biophysical and computational view on the in vitro combination between an anticancer drug, saracatinib and human serum albumin. Journal of Biomolecular Structure and Dynamics, 39 (10). pp. 3565-3575. ISSN 0739-1102, DOI https://doi.org/10.1080/07391102.2020.1766571.
Full text not available from this repository.Abstract
Interaction behaviour of an anticancer drug, saracatinib (SCB) with human serum albumin (HSA), the major carrier protein in human blood circulation was investigated using fluorescence and absorption spectroscopy as well as computational methods. Analysis of the fluorescence quenching data along with absorption results confirmed the complex formation between SCB and HSA, based on the inverse correlation of the Stern-Volmer constant (K-SV) with temperature and hyperchromic effect in the absorption spectra. Moderate binding affinity between SCB and HSA was evident from the binding constant, K-a value (1.08-0.74 x 10(4) M-1), while the SCB-HSA complexation was anticipated to be stabilized by hydrophobic and van der Waals interactions along with hydrogen bonds, as revealed from the thermodynamic data (Delta S = + 29.40 J mol(-1) K-1 and Delta H = - 13.90 kJ mol(-1)). Addition of SCB to HSA significantly defended the thermal denaturation of the protein, though it perturbed the surrounding medium around Tyr and Trp residues. Site marker displacement results elucidated Sudlow's site I, positioned in subdomain IIA of HSA as the preferred binding site of SCB, which was well supported by molecular docking. Molecular dynamics simulation results suggested the stability of the SCB-HSA complex. Communicated by Ramaswamy H. Sarma
| Item Type: | Article |
|---|---|
| Funders: | University of Malaya Frontier Research Grant (FRG) from the Institut Pengurusan dan Pemantauan Penyelidikan, Universiti Malaya (FG025-17AFR) |
| Uncontrolled Keywords: | Saracatinib; Human serum albumin; Ligand-protein interaction; Fluorescence quenching; Molecular dynamics simulations |
| Subjects: | Q Science > Q Science (General) |
| Divisions: | Faculty of Science |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 05 Mar 2022 07:39 |
| Last Modified: | 05 Mar 2022 07:39 |
| URI: | http://eprints.um.edu.my/id/eprint/27862 |
Actions (login required)
 |
View Item |
