Optical properties of photodynamic therapy drugs in different environments: the paradigmatic case of temoporfin

Physical Chemistry Chemical Physics : PCCP
busenur AslanogluSaron Catak

Abstract

Computational tools have been used to study the photophysical and photochemical features of photosensitizers in photodynamic therapy (PDT) - a minimally invasive, less aggressive alternative for cancer treatment. PDT is mainly based on the activation of molecular oxygen through the action of a photoexcited sensitizer (photosensitizer). Temoporfin, widely known as mTHPC, is a second-generation photosensitizer, which produces the cytotoxic singlet oxygen when irradiated with visible light and hence destroys tumor cells. However, the bioavailability of the mostly hydrophobic photosensitizer, and hence its incorporation into cells, is fundamental to achieve the desired effect on malignant tissues via PDT. In this study, we focus on the optical properties of the temoporfin chromophore in different environments -in vacuo, in solution, encapsulated in drug delivery agents, namely cyclodextrin, and interacting with a lipid bilayer.

References

Jan 1, 1992·European Journal of Cancer : Official Journal for European Organization for Research and Treatment of Cancer (EORTC) [and] European Association for Cancer Research (EACR)·T J Dougherty, S L Marcus
Jan 1, 1997·Journal of Clinical Laser Medicine & Surgery·J D BhawalkarP N Prasad
Sep 1, 1986·Physical Review A: General Physics·W G Hoover
Oct 26, 1999·Drug Discovery Today·W M Sharman van Lier JE
Apr 30, 2004·Journal of Computational Chemistry·Junmei WangDavid A Case
Oct 14, 2005·Journal of Computational Chemistry·James C PhillipsKlaus Schulten
Feb 7, 2006·Journal of Molecular Graphics & Modelling·Junmei WangDavid A Case
Nov 10, 2006·The Journal of Chemical Physics·Piero ProcacciRiccardo Chelli
Dec 6, 2006·Angewandte Chemie·Roberto ImprotaFabrizio Santoro
Mar 9, 2007·The Journal of Chemical Physics·Fabrizio SantoroVincenzo Barone
Aug 19, 2007·Biochimica Et Biophysica Acta·Esther BuytaertPatrizia Agostinis
Jul 4, 2008·Pharmaceutical Research·Jan-Willem HofmanCornelus F van Nostrum
Jun 25, 2009·The Journal of Chemical Physics·Ruslan L DavidchackM V Tretyakov
Dec 18, 2010·Journal of the American Chemical Society·Sylvestre BonnetJ Antoinette Killian
Feb 12, 2011·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Vadzim ReshetovLina Bezdetnaya
Apr 26, 2011·Journal of Chemical Theory and Computation·Julia Contreras-GarcíaWeitao Yang
Aug 19, 2011·Photochemistry and Photobiology·Mathias O Senge, Johan C Brandt
Oct 8, 2013·Biochimica Et Biophysica Acta·Rodrigo M Cordeiro
May 8, 2014·Journal of Chemical Theory and Computation·Callum J DicksonRoss C Walker
Aug 19, 2014·Journal of Computational Chemistry·Emilia L WuWonpil Im
Mar 3, 2015·Coordination Chemistry Reviews·Jessica D Knoll, Claudia Turro
Nov 26, 2015·Journal of Chemical Theory and Computation·Javier CerezoFabrizio Santoro
Feb 11, 2016·The Biochemical Journal·Heidi Abrahamse, Michael R Hamblin
Apr 2, 2016·The Journal of Physical Chemistry. B·Kristyna PluhackovaRainer A Böckmann
Jun 21, 2016·European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences·Igor YankovskyVladimir Zorin
Oct 7, 2016·Chemical Society Reviews·Yizhong ShenHong-Yuan Chen
Nov 29, 2016·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Paul Jarrett, Robert Scragg
Feb 2, 2017·Accounts of Chemical Research·Nicholas J Hestand, Frank C Spano
Jul 18, 2017·International Journal of Pharmaceutics·Ilya YakavetsLina Bezdetnaya
Aug 19, 2017·Physical Chemistry Chemical Physics : PCCP·Hugo GattusoAntonio Monari
Oct 4, 2017·Journal of the American Chemical Society·Sven H C AskesAlexander Schiller
Nov 9, 2017·Chemical Communications : Chem Comm·F BolzeV Heitz
Nov 23, 2017·Journal of Computational Chemistry·Nikoleta Ivanova, Anela Ivanova
Mar 27, 2018·Nature Methods·Marcelo C R MeloZaida Luthey-Schulten
May 3, 2018·Acta Pharmaceutica Sinica. B·Juan ZhangLuis Alexandre Muehlmann
Jun 26, 2018·ChemistryOpen·Martina De VettaJuan J Nogueira
Jul 11, 2018·Journal of the American Chemical Society·Isabel O L BacellarMauricio S Baptista

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