Intermolecular interactions between bovine serum albumin and nanosized methyl pheophorbide systems based on amphiphilic N-vinylpyrrolidone copolymers: experimental studies and quantum-chemical modeling

被引:0
作者
Emelyanova, Nina S. [1 ]
Kurmaz, Svetlana V. [1 ]
Poletaeva, Daria A. [1 ]
Zhilenkov, Alexandr V. [1 ]
机构
[1] Russian Acad Sci, Fed Res Ctr Problems Chem Phys & Med Chem, Academician Semenov Ave 1, Chernogolovka 142432, Moscow Region, Russia
关键词
Bovine serum albumin; N-vinylpyrrolidone; Quantum-chemical; NANOPARTICLE-PROTEIN CORONA; PHOTODYNAMIC THERAPY; MOLECULAR DOCKING; PHOTOSENSITIZERS; CANCER;
D O I
10.1007/s11224-025-02448-z
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Mixtures of bovine serum albumin and nanosized systems of the fluorescent dye methyl pheophorbide a based on amphiphilic copolymers of N-vinylpyrrolidone in phosphate-buffered saline were studied using UV/visible spectroscopy and dynamic light scattering. The experimental data obtained indicate the possibility of forming joint structures as a result of adsorption of albumin molecules on polymer particles. The quantum-chemical modeling performed allowed us to propose a structure and estimate the energy of intermolecular bonds of the guest molecule in the resulting nanoscale systems both on the particle surface and in hydrophobic regions. The binding energy of the albumin molecule to the surface of the polymer nanoparticle was estimated and a mechanism for the transition of the methyl pheophorbide molecule from the surface of the nanoparticle to one of the four albumin molecule binding sites found using molecular docking was proposed. Such a transition to the blood protein will facilitate the effective delivery of the active substance to target cells.
引用
收藏
页数:18
相关论文
共 49 条
[1]   Nanoparticles for Advanced Photodynamic Therapy of Cancer [J].
Abrahamse, Heidi ;
Kruger, Cherie Ann ;
Kadanyo, Sania ;
Mishra, Ajay .
PHOTOMEDICINE AND LASER SURGERY, 2017, 35 (11) :581-588
[2]   New photosensitizers for photodynamic therapy [J].
Abrahamse, Heidi ;
Hamblin, Michael R. .
BIOCHEMICAL JOURNAL, 2016, 473 :347-364
[3]   Origin of Fluorescence Lifetimes in Human Serum Albumin. Studies on Native and Denatured Protein [J].
Amiri, Megdouda ;
Jankeje, Kristina ;
Albani, Jihad Rene .
JOURNAL OF FLUORESCENCE, 2010, 20 (03) :651-656
[4]   Structures of bovine, equine and leporine serum albumin [J].
Bujacz, Anna .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2012, 68 :1278-1289
[5]   Understanding the nanoparticle-protein corona using methods to quantify exchange rates and affinities of proteins for nanoparticles [J].
Cedervall, Tommy ;
Lynch, Iseult ;
Lindman, Stina ;
Berggard, Tord ;
Thulin, Eva ;
Nilsson, Hanna ;
Dawson, Kenneth A. ;
Linse, Sara .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 104 (07) :2050-2055
[6]   Photodynamic Therapy Review: Principles, Photosensitizers, Applications, and Future Directions [J].
Correia, Jose H. ;
Rodrigues, Jose A. ;
Pimenta, Sara ;
Dong, Tao ;
Yang, Zhaochu .
PHARMACEUTICS, 2021, 13 (09)
[7]   Multi technique investigation on interaction between 5-(2-thiazolylazo)-2,4,6-triaminopyrimidine and HSA and BSA [J].
Dezhampanah, Hamid ;
Pour, Amineh Mousazadeh Moghaddam .
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (18) :8143-8154
[8]   Intermolecular investigation on interaction of two ternary copper(II) Schiff base complexes with bovine serum albumin [J].
Dezhampanah, Hamid ;
Firouzi, Roghaye ;
Shoeili, Zeinab Moradi ;
Binazir, Reihaneh .
JOURNAL OF MOLECULAR STRUCTURE, 2020, 1205
[9]   Adducts of bovine serum albumin and binuclear nitrosyl iron complex with thiosulfate ligands: a molecular docking and quantum chemical study [J].
Emel'yanova, N. S. ;
Zhilenkov, A. V. ;
Pokidova, O. V. ;
Gutsev, L. G. ;
Zagainova, E. A. ;
Sanina, N. A. ;
Aldoshin, S. M. .
RUSSIAN CHEMICAL BULLETIN, 2024, 73 (09) :2583-2592
[10]   Photodynamic therapy: photosensitizers and nanostructures [J].
Escudero, Alberto ;
Carrillo-Carrion, Carolina ;
Castillejos, Ma Carmen ;
Romero-Ben, Elena ;
Rosales-Barrios, Christian ;
Khiar, Noureddine .
MATERIALS CHEMISTRY FRONTIERS, 2021, 5 (10) :3788-3812