Wani Tanveer A, Bakheit Ahmed H, Zargar Seema, Alanazi Zahi Saad, Al-Majed Abdulrahman A
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Feb 5;246:118977. doi: 10.1016/j.saa.2020.118977. Epub 2020 Sep 24.
This study was designed to examine the interaction of neratinib (NRB) with human serum albumin (HSA) in presence of flavonoids quercetin and rutin. Both quercetin and rutin can compete with NRB to bind to HSA and displace NRB from its binding site. The interaction mechanism was studied with several spectroscopic techniques and molecular docking. Static fluorescence quenching mechanism was observed on interaction of HSA with NRB. van der Waals force and hydrogen bond were involved in the HSA-NRB interaction as per the results of thermodynamic parameters. Further, the conformational changes were observed in the HSA on its interaction with NRB. Interaction of NRB with HSA in presence of quercetin and rutin resulted in changes in the binding constants of HSA-NRB suggesting some impact on the binding of NRB in the presence of flavonoids.
本研究旨在考察在黄酮类化合物槲皮素和芦丁存在的情况下，奈拉替尼（NRB）与人血清白蛋白（HSA）的相互作用。槲皮素和芦丁均可与NRB竞争结合HSA，并将NRB从其结合位点上置换下来。采用多种光谱技术和分子对接研究了相互作用机制。观察到HSA与NRB相互作用时存在静态荧光猝灭机制。根据热力学参数结果，范德华力和氢键参与了HSA-NRB相互作用。此外，观察到HSA与NRB相互作用时其构象发生了变化。在槲皮素和芦丁存在的情况下，NRB与HSA的相互作用导致HSA-NRB结合常数发生变化，表明黄酮类化合物的存在对NRB的结合有一定影响。
