Structure, photodynamic reaction and DNA photocleavage properties of a nitrosyl iron-sulfur cluster (Me4N)2[Fe2S2(NO)4]: A DFT calculation and experimental study

Jing, Qi; Liu, Lifang; Xie, Leilei; Song, Luna; Wang, Wenming; Liu, Yanhong; Zhao, Xuan; Wang, Hongfei

doi:10.1016/j.saa.2020.118401

Cited by 3 publications

(1 citation statement)

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“…Therefore, we used the Gaussian 09 software for DFT calculation to confirm the above results (Figure ). , We first calculated the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of deprotonated and protonated 10f . As the Δ E (LUMO–HOMO) of 10f was 3.11 eV, it dropped to 2.98 eV after protonation under acidic conditions.…”

Section: Resultsmentioning

confidence: 99%

Development of Novel β-Carboline/Furylmalononitrile Hybrids as Type I/II Photosensitizers with Chemo-Photodynamic Therapy and Minimal Toxicity

Xie,

Sun,

Pan

et al. 2024

Mol. Pharmaceutics

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Chemo-photodynamic therapy is a treatment method that combines chemotherapy and photodynamic therapy and has demonstrated significant potential in cancer treatment. However, the development of chemo-photodynamic therapeutic agents with fewer side effects still poses a challenge. Herein, we designed and synthesized a novel series of β-carboline/furylmalononitrile hybrids 10a–i and evaluated their chemo-photodynamic therapeutic effects. Most of the compounds were photodynamically active and exhibited cytotoxic effects in four cancer cells. In particular, 10f possessed type-I/II photodynamic characteristics, and its 1O2 quantum yield increased by 3-fold from pH 7.4 to 4.5. Most interestingly, 10f exhibited robust antiproliferative effects by tumor-selective cytotoxicities and hypoxic-overcoming phototoxicities. In addition, 10f generated intracellular ROS and induced hepatocellular apoptosis, mitochondrial damage, and autophagy. Finally, 10f demonstrated extremely low acute toxicity (LD50 = 1415 mg/kg) and a high tumor-inhibitory rate of 80.5% through chemo-photodynamic dual therapy. Our findings may provide a promising framework for the design of new photosensitizers for chemo-photodynamic therapy.

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Section: Resultsmentioning

confidence: 99%