A novel NIR-II probe for improved tumor-targeting NIR-II imaging

“…Phototheranostics in the NIR region has promising potential for the diagnosis and treatment of cancer owing to their deep penetration ability, small-tissue exposure area, and excellent target recognition capabilities. [26][27][28] Thus, the development of DPP agents with NIR photonic response is crucial for non-invasive precision cancer. 29 The mother molecule DPP derivatives show superior emission properties in the NIR-I region; researchers have continuously explored to obtain DPP derivatives with redshifted absorption and emission for phototheranostics.…”

Section: Strategic Construction Of Adjustable Optical Propertiesmentioning

confidence: 99%

Advanced strategic constructions of diketopyrrolopyrrole derivatives‐based organic semiconducting phototheranostics

Wang

Sun

et al. 2022

Interdisciplinary Medicine

View full text Add to dashboard Cite

Phototheranostics as an advanced approach involved in exogenous lightmediated diagnosis and treatment techniques has attracted broad attention in interdisciplinary biomedical applications. Over the years, deep-tissue and high-resolution imaging techniques, such as second near-infrared (NIR-II, 1000-1700 nm) fluorescence imaging and photoacoustic imaging, are deemed to be dramatically promising diagnostic approaches. In addition, photonic relevant treatments containing photothermal and photodynamic therapy show great superiorities owing to its high spatiotemporal selectivity and minimal invasiveness. Due to the unique chemical and photophysical properties of diketopyrrolopyrrole (DPP), its derivatives are studied for precision phototheranostics. In this review, the recent progress of DPP agents in the molecular design and biological application for advanced phototheranostics was highlighted, focusing on advanced phototheranostics, such as photoactivated theranostics, tumor microenvironment-activated theranostics, and hypoxiatolerant phototheranostics. In general, this review provides meaningful and directive references for molecular design of phototheranostic platforms in advanced biomedical research.

show abstract

“…Organic fluorophores possess outstanding designability regarding their physical and optical characteristics, minimal biotoxicity, in vivo biocompatibility, and biodegradability. These attributes render them the optimal choice with immense potential for clinical translation, making them highly suitable for various biomedical applications [27,28]. Recently, attention has turned to using aggregation-induced luminogens (AIEgens) as a potential solution.…”

Section: Introductionmentioning

confidence: 99%

An in Silico Pharmacokinetic Investigation of Organic Luminogens: Understanding the Nir Aiegens and Their Interactions With Serum Albumins

NALÇAKAN,

KURTAY,

ÖZDİL

et al. 2023

Ankara Ecz. Fak. Derg.

View full text Add to dashboard Cite

Objective: Fluorescence imaging (FLI) is accepted as a highly effective method for visualizing bioanalytics directly and gaining insight into complicated biological structures and processes. In this context, newly tailored organic molecules, which have the potential to be used in FLI, especially near-infrared (NIR) regions supported by aggregation-induced emission luminogens (AIEgens), are a rapidly developing area of study. Herein, using ADMET and molecular docking analyses, we examined the pharmacokinetic properties of both model (D2-A2-D2) and newly designed (Dn-An-Dn) organic luminogens to interact with blood proteins, namely bovine serum albumin (BSA) and human serum albumin (HSA), which have emerged as a versatile carrier of several therapeutic agents against preliminary cancer and infectious diseases. Material and Method: The structural properties of the examined luminogens were computed using the Gaussian 09 software package. The DFT/B3LYP/6-31G(d,p) level was then utilized for geometry optimization and accurately determining electronic structures and molecular properties. Lipinski's rule of five was applied to predict the drugability of the compounds using the SwissADME web tool. Molinspiration was used for further validation of these properties and additional bioactivity parameters. Toxicity parameters were evaluated with OSIRIS Property Explorer (v.4.5.1). Molecular docking simulations of the luminogen-albumin complexes were performed using SAMSON 2022 R2 modeling platform and implemented Autodock-vina extension. The X-ray crystal structures of bovine serum albumin (BSA, PDB ID: 4F5S) and human serum albumin (HSA, PDB ID: 4L9Q) were obtained from the Protein Data Bank. Visualization of the docking interactions was conducted using Discovery Studio Visualizer 2021. Result and Discussion: The compounds D1-A1-D1 and D1-A4-D1 stood out concerning molecular weight (MW) and ClogPo/w values, making them promising candidates for drug design. An analysis of lipophilicity revealed that these two compounds displayed high miLogP values, indicating a high degree of lipophilicity, which is generally beneficial for drug delivery. They also exhibited moderate bioactivity based on GPCR ligand and protease inhibitor (PI) parameters. On the other hand, D4-A3-D4 showcased paramount interaction with bovine serum albumin (BSA), while D5-A3-D5 demonstrated the highest binding affinity with human serum albumin (HSA).

show abstract

A novel NIR-II probe for improved tumor-targeting NIR-II imaging

Abstract: In this work, we report a novel probe IR-RGD, which possesses a bright emission tail in the NIR-II region along with high quantum yield.

Cited by 4 publications

References 28 publications

Near-infrared (NIR) fluorescence-emitting small organic molecules for cancer imaging and therapy

Near-infrared (NIR) fluorescence-emitting small organic molecules for cancer imaging and therapy

Advanced strategic constructions of diketopyrrolopyrrole derivatives‐based organic semiconducting phototheranostics

An in Silico Pharmacokinetic Investigation of Organic Luminogens: Understanding the Nir Aiegens and Their Interactions With Serum Albumins

Contact Info

Product

Resources

About