Visible and Red Light-Triggered Anticancer Profile of a Ferrocene-Re(I)-Tricarbonyl Conjugate: Experimental and Theoretical Studies

Kushwaha, R and Upadhyay, A and Peters, S and Yadav, AK and Mishra, A and Bera, A and Sadhukhan, T and Banerjee, S (2024) Visible and Red Light-Triggered Anticancer Profile of a Ferrocene-Re(I)-Tricarbonyl Conjugate: Experimental and Theoretical Studies. In: Langmuir, 40 (23). 12226 - 12238.

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Abstract

We have red-shifted the light absorbance property of a Re(I)-tricarbonyl complex via distant conjugation of a ferrocene moiety and developed a novel complex ReFctp, Re(Fctp)(CO)3Cl, where Fctp = 4�-ferrocenyl-2,2�:6�,2�-terpyridine. ReFctp showed green to red light absorption ability and blue emission, indicating its potential for photodynamic therapy (PDT) application. The conjugation of ferrocene introduced ferrocene-based transitions, which lie at a higher wavelength within the PDT therapeutic window. The time-dependent density functional theory and excited state calculations revealed an efficient intersystem crossing for ReFctp, which is helpful for PDT. ReFctp elicited both PDT type I and type II pathways for reactive oxygen species (ROS) generation and facilitated NADH (1,4-dihydro-nicotinamide adenine dinucleotide) oxidation upon exposure to visible light. Importantly, ReFctp showed effective penetration through the layers of clinically relevant 3D multicellular tumor spheroids and localized primarily in mitochondria (Pearson�s correlation coefficient, PCC = 0.65) of A549 cancer cells. ReFctp produced more than 20 times higher phototoxicity (IC50 �1.5 μM) by inducing ROS generation and altering mitochondrial membrane potential in A549 cancer cells than the nonferrocene analogue Retp, Re(CO)3(tp)Cl, where tp = 2,2�:6�,2�-terpyridine. ReFctp induced apoptotic mode of cell death with a notable photocytotoxicity index (PI, PI = IC50dark/IC50light) and selectivity index (SI, SI = normal cell�s IC50dark/cancer cell�s IC50light) in the range of 25-33. © 2024 American Chemical Society.

Item Type:	Journal Article
Publication:	Langmuir
Publisher:	American Chemical Society
Additional Information:	The copyright for this article belongs to American Chemical Society.
Keywords:	Cancer cells; Cell death; Density functional theory; Diseases; Excited states; Iron compounds; Light absorption; Mitochondria; Organometallics; Red Shift, Absorbance properties; Cancer cells; Ferrocenes; Reactive oxygen species; Red light; Red-shifted; Terpyridines; Theoretical study; Tricarbonyl complexes; Visible light, Photodynamic therapy
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	21 Aug 2024 12:07
Last Modified:	21 Aug 2024 12:07
URI:	http://eprints.iisc.ac.in/id/eprint/85491

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