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Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Zhou et al. | Nov 17, 2022

Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Here, based on the identification of androgapholide as a potential therapeutic treatment against cancer, Alzheimer's disease, diabetes, and multiple sclerosis, due to its ability to inhibit a signaling pathway in immune system function, the authors sought ways to optimize the natural product human systems by manipulating its chemical structure. Through the semisynthesis of a natural product along with computational studies, the authors developed an understanding of the kinetic mechanisms of andrographolide and semisynthetic analogs in the context of Michael additions.

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The Effect of Different Fructose Diets on the Lifespan of C. elegans

Chen et al. | May 10, 2020

The Effect of Different Fructose Diets on the Lifespan of <em>C. elegans</em>

High-fructose diets consumed widely in modern societies predisposes to metabolic diseases such as diabetes. Using the worm C. elegans, the authors of this study investigated the effect of fructose on the worm's survival rates. They found that worms fed 15% fructose had a lower life expectancy than those on a fructose-free diet. These results suggest that, like in humans, fructose has a negative effect on worm survival, which makes them an easy, attractive model to study the effects of fructose on health.

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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

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Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy

Su et al. | Feb 10, 2023

Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy

Berberine is a natural product isoquinoline alkaloid derived from plants of the genus Berberis. When exposed to photoirradiation, it produces singlet oxygen through photosensitization of triplet oxygen. Through qNMR analysis of 1H NMR spectra gathered through kinetic experiments, we were able to track the generation of a product between singlet oxygen and alpha terpinene, allowing us to quantitatively measure the photosensitizing properties of our scaffolds.

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Efficacy of Mass Spectrometry Versus 1H Nuclear Magnetic Resonance With Respect to Denaturant Dependent Hydrogen-Deuterium Exchange in Protein Studies

Chenna et al. | Jan 22, 2020

Efficacy of Mass Spectrometry Versus 1H Nuclear Magnetic Resonance With Respect to Denaturant Dependent Hydrogen-Deuterium Exchange in Protein Studies

The misfolding of proteins leads to numerous diseases including Akzheimer’s, Parkinson’s and Type II Diabetes. Understanding of exactly how proteins fold is crucial for many medical advancements. Chenna and Englander addressed this problem by measuring the rate of hydrogen-deuterium exchange within proteins exposed to deuterium oxide in order to further elucidate the process of protein folding. Here, mass spectrometry was used to measure exchange in Cytochrome c and was compared to archived 1H NMR data.

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Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models

Lee et al. | Mar 30, 2022

Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models

Inefficient penetration of cancer drugs into the interior of the three-dimensional (3D) tumor tissue limits drugs' delivery. The authors hypothesized that the addition of phospholipase A2 (PLA2) would increase the permeability of the drug doxorubicin for efficient drug penetration. They found that 1 mM PLA2 had the highest permeability. Increased efficiency in drug delivery would allow lower concentrations of drugs to be used, minimizing damage to normal cells.

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Synthesis of a novel CCR1 antagonist for treatment of glioblastoma

Jan et al. | May 05, 2021

Synthesis of a novel CCR1 antagonist for treatment of glioblastoma

Glioblastoma is a brain cancer caused by the presence of a fast-growing, malignant tumor in the brain. As of now, this cancer is universally lethal due to lack of efficacious treatment options. C-C chemokine receptor 1 (CCR1) is a G-protein coupled receptor that controls chemotaxis, the movement of cells in response to chemical stimuli. This research aims to synthesize potential CCR1 antagonists by coupling carboxylic acids with a triazole core. We synthesized these compounds using a simple carboxylic acid coupling and confirmed the identity of the final compounds using nuclear magnetic resonance (NMR) spectroscopy.

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Mask wearing and oxyhemoglobin saturation effects during exercise

Foss et al. | Jul 15, 2022

Mask wearing and oxyhemoglobin saturation effects during exercise

Wearing face masks has become a common occurrence in everyday life and during athletics due to the spread of diseases. This study tested if masks would affect blood percent saturation of hemoglobin (SpO2) during treadmill exercise. The data analysis showed that mask type, time, and the interaction of mask type and time were significant results, regardless of physical ability. These results may assist athletes in understanding the differences between training and competing with and without a mask.

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The influence of working memory on auditory category learning in the presence of visual stimuli

Vishag et al. | Sep 18, 2022

The influence of working memory on auditory category learning in the presence of visual stimuli

Here in an effort to better understand how our brains process and remember different categories of information, the authors assessed working memory capacity using an operation span task. They found that individuals with higher working memory capacity had higher overall higher task accuracy regardless of the type of category or the type of visual distractors they had to process. They suggest this may play a role in how some students may be less affected by distracting stimuli compared to others.

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