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Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.

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Peptidomimetics Targeting the Polo-box Domain of Polo-like Kinase 1

Jang et al. | Aug 19, 2016

Peptidomimetics Targeting the Polo-box Domain of Polo-like Kinase 1

Polo-like kinase 1 (Plk1) is a master regulator of mitosis, initiating key steps of cell cycle regulation, and its overexpression is associated with certain types of cancer. In this study, the authors carefully designed peptides that were able to bind to Plk1 at a location that is important for its proper localization and function. Future studies could further develop these peptides to selectively target Plk1 in cancer cells and induce mitotic arrest.

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Testing Various Synthetic and Natural Fiber Materials for Soundproofing

Karuppiah et al. | Jun 15, 2017

Testing Various Synthetic and Natural Fiber Materials for Soundproofing

Noise pollution negatively impacts the health and behavioral routines of humans and other animals, but the production of synthetic sound-absorbing materials contributes to harmful gas emissions into the atmosphere. The authors of this paper investigated the effectiveness of environmentally-friendly, cheap natural-fiber materials, such as jute, as replacements for synthetic materials, such as gypsum and foam, in soundproofing.

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Androgen Diffusion Patterns in Soil: Potential Watershed Impacts

Corson et al. | Jan 24, 2019

Androgen Diffusion Patterns in Soil: Potential Watershed Impacts

Androgens are natural or synthetic steroid hormones that control secondary male sex characteristics. Androgens are excreted in cattle urine and feces, and can run off or seep into nearby waters, negatively impacting aquatic life and potentially polluting human water sources. Here, the authors investigated the effectiveness of soil as a natural barrier against androgen flow into vulnerable waterways. Their results, obtained by testing diffusion patterns of luminol, an androgen chemical analog, indicated that soil is a poor barrier to androgen diffusion.

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Advancing pediatric cancer predictions through generative artificial intelligence and machine learning

Yadav et al. | Dec 21, 2024

Advancing pediatric cancer predictions through generative artificial intelligence and machine learning

Pediatric cancers pose unique challenges due to their rarity and distinct biological factors, emphasizing the need for accurate survival prediction to guide treatment. This study integrated generative AI and machine learning, including synthetic data, to analyze 9,184 pediatric cancer patients, identifying age at diagnosis, cancer types, and anatomical sites as significant survival predictors. The findings highlight the potential of AI-driven approaches to improve survival prediction and inform personalized treatment strategies, with broader implications for innovative healthcare applications.

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Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Mandava et al. | Dec 16, 2023

Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Thymoquinone is a compound of great therapeutic potential and scientific interest. However, its clinical administration and synthetic modifications are greatly limited by its instability in the presence of light. This study employed quantitative 1H nuclear magnetic resonance (NMR) spectroscopy to identify the effect of solvation on the degradation of thymoquinone under ultraviolet light (UV). It found that the rate of degradation is highly solvent dependent occurs maximally in chloroform.

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