How computations can assist the rational design of drugs for photodynamic therapy: photosensitizing activity assessment of a Ru (II)-BODIPY assembly

F Ponte, DM Scopelliti, N Sanna, E Sicilia, G Mazzone - Molecules, 2022 - mdpi.com
Ruthenium-based complexes represent a new frontier in light-mediated therapeutic
strategies against cancer. Here, a density functional-theory-based computational …

String-attached oligothiophene substituents determine the fate of excited states in ruthenium complexes for photodynamic therapy

A Chettri, KRA Schneider, HD Cole… - The Journal of …, 2021 - ACS Publications
We explore the photophysical properties of a family of Ru (II) complexes, Ru-ip-n T,
designed as photosensitizers (PSs) for photodynamic therapy (PDT). The complexes …

Interaction with a biomolecule facilitates the formation of the function-determining long-lived triplet state in a ruthenium complex for photodynamic therapy

A Chettri, HD Cole, JA Roque III… - The Journal of …, 2022 - ACS Publications
TLD1433 is the first ruthenium (Ru)-based photodynamic therapy (PDT) agent to advance to
clinical trials and is currently in a phase II study for treating nonmuscle bladder cancer with …

Tuning the photophysical properties of ru (ii) photosensitizers for pdt by protonation and metallation: a dft study

M Spiegel, C Adamo - The Journal of Physical Chemistry A, 2023 - ACS Publications
Due to their activity, photosensitizers with the Ru (II)–polypyridyl complex structure represent
an intriguing class of photodynamic therapy agents used to treat neoplasms. However, their …

Singlet-to-triplet absorption for near-infrared-to-visible photon upconversion

Y Sasaki, S Amemori, N Yanai… - Bulletin of the Chemical …, 2021 - academic.oup.com
This review highlights the advancement of molecular triplet donors showing singlet-to-triplet
(S–T) absorption and their utilization for triplet-triplet annihilation-based photon …

A multiscale free energy method reveals an unprecedented photoactivation of a bimetallic Os (II)–Pt (II) dual anticancer agent

ME Alberto, A Francés-Monerris - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
The photoreactivity of relatively large transition metal complexes is often limited to the
description of the static potential energy surfaces of the involved electronic states. While …

Novel Nickel(II), Palladium(II), and Platinum(II) Complexes with O,S Bidendate Cinnamic Acid Ester Derivatives: An In Vitro Cytotoxic Comparison to Ruthenium(II) …

J Hildebrandt, N Häfner, H Görls, MC Barth… - International journal of …, 2022 - mdpi.com
(1) Background: Since the discovery of cisplatin's cytotoxic properties, platinum (II)
compounds have attracted much interest in the field of anticancer drug development. Over …

Anticancer Potential of the S‐Heterocyclic Ring Containing Drugs and its Bioactivation to Reactive Metabolites

S Maji, B Debnath, S Panda, T Manna… - Chemistry & …, 2024 - Wiley Online Library
Sulfur‐containing heterocyclic derivatives have been disclosed for binding with a wide
range of cancer‐specific protein targets. Various interesting derivatives of sulfur‐containing …

It Takes Three to Tango: The Length of the Oligothiophene Chain Determines the Nature of the Long‐Lived Excited State and the Resulting Photocytotoxicity of a …

A Chettri, JA Roque III, KRA Schneider… - …, 2021 - Wiley Online Library
TLD1433 is the first Ru (II) complex to be tested as a photodynamic therapy agent in a
clinical trial. In this contribution we study TLD1433 in the context of structurally‐related Ru …

Insights into enantioselective separations of ionic metal complexes by sub/supercritical fluid chromatography

TT Handlovic, MF Wahab, HD Cole, N Alatrash… - Analytica chimica …, 2022 - Elsevier
Sub/supercritical fluid chromatography (SFC) is a green separation technique that has been
used to separate a wide variety of compounds and is proven to be immensely useful for …