Oil-in-water nanoemulsions comprising Berberine in olive oil: biological activities, binding mechanisms to human serum albumin or holo-transferrin and QMMD simulations. Issue 3 (11th February 2021)

• Record Type: Journal Article
• Authors: Sharifi-Rad, Atena; Mehrzad, Jamshid; Darroudi, Majid; Saberi, Mohammad Reza; Chamani, Jamshidkhan
• Is Part Of: Journal of biomolecular structure & dynamics. Volume 39:Issue 3(2021)
• Page Start: 1029
• Page End: 1043
• Publication Date: 2021-02-11
• Subjects: Berberine -- nanoemulsion -- olive oil -- antioxidant activity -- human serum albumin -- holo-transferrin -- spectroscopy -- field emission scanning electron microscopy; Biomolecules -- Periodicals; Molecular structure -- Periodicals; Molecular Biology -- Periodicals; Biomechanics -- Periodicals; 572
• DOI: 10.1080/07391102.2020.1724568
• Languages: English
• ISSNs: 0739-1102

Abstract

Abstract: Berberine is widely used in traditional Iranian medicine to treat diabetes and inflammatory conditions. This study was aimed at developing a method for the preparation of Berberine nanoparticles (Nano-Ber) in order to improve its aqueous-phase solubility and its complex formation with human serum albumin (HSA) and holo-transferrin (HTF) from the viewpoint of interaction behavior. Nano-Ber was prepared with olive oil as the oil phase, Tween 80 as the surfactant and Span 60 as the co-surfactant. Nano-Ber was obtained with a spherical shape and a mean particle size of 43.7 ± 3.6 nm, with an optimal oil:surfactant:co-surfactant ratio of 1:2:2, w/w/w. The antioxidant activity of Nano-Ber in comparison with Berberine was tested using DPPH and it was found that Nano-Ber had a large antioxidant activity. The cytotoxicity effects of Nano-Ber and Berberine on HepG2 were compared by MTT assay and detected in the treated HepG2 cells at concentrations up to 0.1 mM. The binding constants of HSA-Nano-Ber and HTF-Nano-Ber complexes formation were (2.93 ± 0.02) × 10 4 and (9.62 ± 0.03) × 10 3 M −1, respectively. Hydrogen bonds and van der Waals interactions were the predominant forces in the HSA-Nano-Ber and HTF-Nano-Ber complexes, and the process of Nano-Ber binding HSA and HTF was driven by Δ H 0 = –122.76 kJ mol −1, Δ S 0 = –325.49 J mol −1 K −1 for HSA and Δ H 0 = –125.09 kJ mol −1, Δ S 0 = –43.37 J mol −1 K −1 for HTF. The results of the simulation demonstrated that the Nano-Ber molecules were stabilized on the surface of final aggregates through both hydrophilic and hydrophobic interactions. Communicated by Ramaswamy Sarma