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Novel Agents in Photodynamic Therapy

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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (31 August 2024) | Viewed by 12543

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Prof. Dr. Gloria Mazzone

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Guest Editor

Department of Chemistry and Chemical Technologies, University of Calabria, Rende, Italy
Interests: computational chemistry; photochemistry; photosensitizers; medicinal chemistry; anticancer drugs; reaction mechanisms
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Cancer is a leading cause of disease worldwide, a figure that is expected to rise as the world’s population continues to increase. It is estimated to be the second most common cause of death. Despite the significant progress made in the traditional treatment of cancer, including surgery, chemotherapy, and radiation therapy, severe side-effects associated with the intake of anticancer drugs are usually a consequence of the lack of specificity as drugs kill both cancer and healthy cells. Photodynamic therapy (PDT) represents a very promising alternative strategy that typically results in fewer side-effects. Nonetheless, the photosensitizers currently under consideration still have important drawbacks which include, for example, a lack of selective uptake in cancer cells. In this perspective, the rational design and development of new drugs for this emerging therapy has become an important goal of the scientific community working in this field.

This Special Issue titled “Novel Agents in Photodynamic Therapy” is focused on the design, synthesis, and molecular mechanism of action of new therapeutic agents for the phototreatment of cancer, and it will cover all the different aspects of structure-based design, leading to biologically active compounds from molecular simulations, synthetic chemistry, and structure–activity relationships for drug optimization.

Prof. Dr. Gloria Mazzone
Guest Editor

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Keywords

anticancer therapy
drug discovery
molecular modeling
photosensitizers
photodynamic therapy
photoactivated chemotherapy

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Published Papers (5 papers)

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Research

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15 pages, 4801 KiB

Open AccessArticle

Dissecting the Interactions between Chlorin e6 and Human Serum Albumin

by Alessia Marconi, Edoardo Jun Mattioli, Filippo Ingargiola, Giulia Giugliano, Tainah Dorina Marforio, Luca Prodi, Matteo Di Giosia and Matteo Calvaresi

Molecules 2023, 28(5), 2348; https://doi.org/10.3390/molecules28052348 - 3 Mar 2023

Cited by 9 | Viewed by 2180

Abstract

Chlorin e6 (Ce6) is among the most used sensitizers in photodynamic (PDT) and sonodynamic (SDT) therapy; its low solubility in water, however, hampers its clinical exploitation. Ce6 has a strong tendency to aggregate in physiological environments, reducing its performance as a photo/sono-sensitizer, as well as yielding poor pharmacokinetic and pharmacodynamic properties. The interaction of Ce6 with human serum albumin (HSA) (i) governs its biodistribution and (ii) can be used to improve its water solubility by encapsulation. Here, using ensemble docking and microsecond molecular dynamics simulations, we identified the two Ce6 binding pockets in HSA, i.e., the Sudlow I site and the heme binding pocket, providing an atomistic description of the binding. Comparing the photophysical and photosensitizing properties of Ce6@HSA with respect to the same properties regarding the free Ce6, it was observed that (i) a red-shift occurred in both the absorption and emission spectra, (ii) a maintaining of the fluorescence quantum yield and an increase of the excited state lifetime was detected, and (iii) a switch from the type II to the type I mechanism in a reactive oxygen species (ROS) production, upon irradiation, took place. Full article

(This article belongs to the Special Issue Novel Agents in Photodynamic Therapy)

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16 pages, 1755 KiB

Open AccessArticle

How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly

by Fortuna Ponte, Davide Maria Scopelliti, Nico Sanna, Emilia Sicilia and Gloria Mazzone

Molecules 2022, 27(17), 5635; https://doi.org/10.3390/molecules27175635 - 1 Sep 2022

Cited by 9 | Viewed by 1806

Abstract

Ruthenium-based complexes represent a new frontier in light-mediated therapeutic strategies against cancer. Here, a density functional-theory-based computational investigation, of the photophysical properties of a conjugate BODIPY-Ru(II) complex, is presented. Such a complex was reported to be a good photosensitizer for photodynamic therapy (PDT), successfully integrating the qualities of a NIR-absorbing distyryl-BODIPY dye and a PDT-active [Ru(bpy)₃]²⁺ moiety. Therefore, the behaviour of the conjugate BODIPY-Ru(II) complex was compared with those of the metal-free BODIPY chromophore and the Ru(II) complex. Absorptions spectra, excitation energies of both singlet and triplet states as well as spin–orbit-matrix elements (SOCs) were used to rationalise the experimentally observed different activities of the three potential chromophores. The outcomes evidence a limited participation of the Ru moiety in the ISC processes that justifies the small SOCs obtained for the conjugate. A plausible explanation was provided combining the computational results with the experimental evidences. Full article

(This article belongs to the Special Issue Novel Agents in Photodynamic Therapy)

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15 pages, 6489 KiB

Open AccessArticle

On the Pathomorphological Pattern of the Efficiency of Photodynamic Therapy of Murine Melanoma B16 Using a New Photosensitizer Based on Chlorin e₆ Conjugate with a Prostate-Specific Membrane Antigen

by Olga B. Abramova, Grigory A. Demyashkin, Valentina V. Drozhzhina, Nina D. Yakovleva, Ekaterina A. Kozlovtseva, Tatiana P. Sivovolova, Petr V. Shegay, Sergey A. Ivanov and Andrey D. Kaprin

Molecules 2022, 27(11), 3445; https://doi.org/10.3390/molecules27113445 - 26 May 2022

Cited by 4 | Viewed by 1637

Abstract

Photodynamic therapy (PDT) is an effective treatment for a number of solid malignancies. In this work, the antitumor efficacy of photodynamic therapy for murine B16 melanoma with intravenous administration of a new photosensitizer (PS) based on the chlorin e₆ conjugate with a prostate-specific membrane antigen (PSMA) was studied in vivo. We have previously published the data obtained in the first part of the study: the dynamics of PS accumulation in the tumor and surrounding tissues and the antitumor efficacy of the photodynamic therapy, which was evaluated by the regression parameters and morphological characteristics of the tumors—including by the complete regression of the tumors, the absolute growth rate of the tumors among the mice with continued tumor growth, and an increase in life expectancy compared to the control. The criterion for a complete cure was the absence of signs of tumor recurrence within 90 days after therapy. The conducted studies demonstrated the high efficiency of the new photosensitizer for the photodynamic therapy of B16 melanoma. This article presents a continuation of this work, including histological studies of the zones exposed to laser irradiation on the 21st day after treatment and an assessment of the therapeutic potential of photodynamic therapy for the destruction of tumor cells. Pathological studies in the zones of photodynamic exposure revealed that the effectiveness of the PDT depended on the PS dose and the laser irradiation parameters. Full article

(This article belongs to the Special Issue Novel Agents in Photodynamic Therapy)

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Review

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23 pages, 11689 KiB

Open AccessReview

Heavy Atom-Free Triplet Photosensitizers: Molecular Structure Design, Photophysical Properties and Application in Photodynamic Therapy

by Xiao Xiao, Xiaoyu Zhao, Xi Chen and Jianzhang Zhao

Molecules 2023, 28(5), 2170; https://doi.org/10.3390/molecules28052170 - 26 Feb 2023

Cited by 9 | Viewed by 2865

Abstract

Photodynamic therapy (PDT) is a promising method for the treatment of cancer, because of its advantages including a low toxicity, non-drug-resistant character, and targeting capability. From a photochemical aspect, a critical property of triplet photosensitizers (PSs) used for PDT reagents is the intersystem crossing (ISC) efficiency. Conventional PDT reagents are limited to porphyrin compounds. However, these compounds are difficult to prepare, purify, and derivatize. Thus, new molecular structure paradigms are desired to develop novel, efficient, and versatile PDT reagents, especially those contain no heavy atoms, such as Pt or I, etc. Unfortunately, the ISC ability of heavy atom-free organic compounds is usually elusive, and it is difficult to predict the ISC capability of these compounds and design novel heavy atom-free PDT reagents. Herein, from a photophysical perspective, we summarize the recent developments of heavy atom-free triplet PSs, including methods based on radical-enhanced ISC (REISC, facilitated by electron spin–spin interaction), twisted π-conjugation system-induced ISC, the use of fullerene C₆₀ as an electron spin converter in antenna-C₆₀ dyads, energetically matched S₁/T_n states-enhanced ISC, etc. The application of these compounds in PDT is also briefly introduced. Most of the presented examples are the works of our research group. Full article

(This article belongs to the Special Issue Novel Agents in Photodynamic Therapy)

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19 pages, 1907 KiB

Open AccessReview

Development of Biotechnological Photosensitizers for Photodynamic Therapy: Cancer Research and Treatment—From Benchtop to Clinical Practice

by Mariza Aires-Fernandes, Ramon Botelho Costa, Stéphanie Rochetti do Amaral, Cassamo Ussemane Mussagy, Valéria C. Santos-Ebinuma and Fernando Lucas Primo

Molecules 2022, 27(20), 6848; https://doi.org/10.3390/molecules27206848 - 13 Oct 2022

Cited by 12 | Viewed by 3217

Abstract

Photodynamic therapy (PDT) is a noninvasive therapeutic approach that has been applied in studies for the treatment of various diseases. In this context, PDT has been suggested as a new therapy or adjuvant therapy to traditional cancer therapy. The mode of action of PDT consists of the generation of singlet oxygen (¹O₂) and reactive oxygen species (ROS) through the administration of a compound called photosensitizer (PS), a light source, and molecular oxygen (³O₂). This combination generates controlled photochemical reactions (photodynamic mechanisms) that produce ROS, such as singlet oxygen (¹O₂), which can induce apoptosis and/or cell death induced by necrosis, degeneration of the tumor vasculature, stimulation of the antitumor immune response, and induction of inflammatory reactions in the illuminated region. However, the traditional compounds used in PDT limit its application. In this context, compounds of biotechnological origin with photosensitizing activity in association with nanotechnology are being used in PDT, aiming at its application in several types of cancer but with less toxicity toward neighboring tissues and better absorption of light for more aggressive types of cancer. In this review, we present studies involving innovatively developed PS that aimed to improve the efficiency of PDT in cancer treatment. Specifically, we focused on the clinical translation and application of PS of natural origin on cancer. Full article

(This article belongs to the Special Issue Novel Agents in Photodynamic Therapy)

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