Recent advances in PAMAM dendrimer-based CT contrast agents for molecular imaging and theranostics of cancer

Huang, Tianyu; Li, Gaoming; Guo, Yunqi; Zhang, Guixiang; Shchabin, Dzmitry; Shi, Xiangyang; Shen, Mingwu

doi:10.1039/d3sd00101f

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2024

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Cited by 2 publications

References 60 publications

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Theoretical Investigation of Para‐Substituted Aniline Based Dendritic Architecture: In‐Silico ADMET, DFT, and Machine Learning Approach

Hemso,

Neikha,

Das

et al. 2024

ChemistrySelect

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Dendrimers are polymeric compounds which exhibit notable advantages, particularly in medicinal chemistry. The therapeutic potential of these molecular architectures can be screened through in silico method which facilitates the identification of the ones with the highest potential for further investigation. Here, we have reported the in silico investigation of a series of dendritic architecture based on para‐substituted aniline. Density functional theory (DFT) method was employed to optimize the structures and to analyze the quantum chemical parameters. The absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling was additionally assessed, which unveiled favorable drug‐like characteristics and moderate to good bioactivity across all compounds. Utilizing the drug‐likeness property in machine learning techniques, the potential for predicting novel drug‐like dendrimers was explored.

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Theoretical Investigation of Para‐Substituted Aniline Based Dendritic Architecture: In‐Silico ADMET, DFT, and Machine Learning Approach

Hemso,

Neikha,

Das

et al. 2024

ChemistrySelect

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New-Generation Drug Delivery Systems (DDSs) in Anticancer Strategies: Impact of Autophagy and Its Modulation

Canonico,

Pricl,

Biagiotti

et al. 2024

Interdisciplinary Cancer Research

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Recent advances in PAMAM dendrimer-based CT contrast agents for molecular imaging and theranostics of cancer

Abstract: Construction of poly(amidoamine) (PAMAM) dendrimer-based nanoplatforms for tumor computed tomography (CT) imaging and theranostics has gained significant attention in recent years. The unique characteristics of PAMAM dendrimers such as monodispersity,...

Cited by 2 publications

References 60 publications

Theoretical Investigation of Para‐Substituted Aniline Based Dendritic Architecture: In‐Silico ADMET, DFT, and Machine Learning Approach

Theoretical Investigation of Para‐Substituted Aniline Based Dendritic Architecture: In‐Silico ADMET, DFT, and Machine Learning Approach

New-Generation Drug Delivery Systems (DDSs) in Anticancer Strategies: Impact of Autophagy and Its Modulation

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