@article{Kench:2024:10.1002/anie.202401808,
author = {Kench, T and Rahardjo, A and Terrones, GG and Bellamkonda, A and Maher, TE and Storch, M and Kulik, HJ and Vilar, R},
doi = {10.1002/anie.202401808},
journal = {Angewandte Chemie International Edition},
title = {A semi-automated, high-throughput approach for the synthesis and identification of highly photo-cytotoxic iridium complexes},
url = {http://dx.doi.org/10.1002/anie.202401808},
year = {2024}
}

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TY  - JOUR
AB  - The discovery of new compounds with pharmacological properties is usually a lengthy, laborious and expensive process. Thus, there is increasing interest in developing workflows that allow for the rapid synthesis and evaluation of libraries of compounds with the aim of identifying leads for further drug development. Herein, we apply combinatorial synthesis to build a library of 90iridium(III) complexes (81 of which are new) over two synthesise-and-test cycles, with the aim of identifying potential agents for photodynamic therapy. We demonstrate the power of this approach by identifying highly active complexes that are well-tolerated in the dark but display very low nM phototoxicity against cancer cells. To build a detailed structure-activity relationship for this class of compounds we have used density functional theory (DFT) calculations to determine some key electronic parameters and study correlations with the experimental data. Finally, we present an optimised semi-automated synthesise-and-test protocol to obtain multiplex data within 72hours.
AU  - Kench,T
AU  - Rahardjo,A
AU  - Terrones,GG
AU  - Bellamkonda,A
AU  - Maher,TE
AU  - Storch,M
AU  - Kulik,HJ
AU  - Vilar,R
DO  - 10.1002/anie.202401808
PY  - 2024///
SN  - 1433-7851
TI  - A semi-automated, high-throughput approach for the synthesis and identification of highly photo-cytotoxic iridium complexes
T2  - Angewandte Chemie International Edition
UR  - http://dx.doi.org/10.1002/anie.202401808
UR  - https://www.ncbi.nlm.nih.gov/pubmed/38404222
UR  - https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202401808
UR  - http://hdl.handle.net/10044/1/110258
ER  - 

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