Influence of antioxidant flavonoids quercetin and rutin on the in-vitro binding of neratinib to human serum albumin

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2021-02, Vol.246, p.118977, Article 118977
• Main Authors: Wani, Tanveer A., Bakheit, Ahmed H., Zargar, Seema, Alanazi, Zahi Saad, Al-Majed, Abdulrahman A.
• Format: Article
• Language: English
• Subjects: Binding interaction; Competition; Fluorescence quenching; Human serum albumin; Neratinib; Quercetin; Rutin
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2020.118977

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. [Display omitted] •Neratinib inhibits Her2 and EGFR kinases and is used to treat breast cancer.•Plasma protein binding plays significant role in pharmacokinetics of drugs.•Spectroscopic methods were used to study the in-vitro interaction.•Effect of two different flavonoids was investigated on neratinib-HSA interaction.•The study helpful in predicting interaction between neratinib and flavonoids