Bogazici University, Department of Chemistry, Bebek 34342, Istanbul, Turkey.
Phys Chem Chem Phys. 2020 Aug 7;22(29):16956-16964. doi: 10.1039/d0cp02055a. Epub 2020 Jul 16.
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.
计算工具已被用于研究光动力疗法 (PDT) 中光敏剂的光物理和光化学特性，PDT 是一种微创、侵袭性较小的癌症治疗方法。PDT 主要基于分子氧通过光激发敏化剂（光敏剂）的作用被激活。替莫泊芬，通常被称为 mTHPC，是第二代光敏剂，当用可见光照射时会产生细胞毒性单线态氧，从而破坏肿瘤细胞。然而，大多数疏水性光敏剂的生物利用度，以及因此将其掺入细胞中，对于通过 PDT 对恶性组织产生所需的效果是至关重要的。在这项研究中，我们专注于替莫泊芬生色团在不同环境中的光学性质 - 在真空中、在溶液中、封装在药物递送剂中，即环糊精中，以及与脂质双层相互作用。
