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Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Yu et al. | Sep 12, 2022

Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Naturally occurring neuroactive alkaloids are often studied for their potential to treat Neurological diseases. This team of students study Rivastigmine, a potent cholinesterase inhibitor that is a synthetic analog of physostigmine, which comes from the Calabar bean plant Physostigma venenosum. By comparing the effects of optimized synthetic analogs to the naturally occurring alkaloid, they determine the most favorable analog for inhibition of acetylcholinesterase (AChE), the enzyme that breaks down the neurotransmitter acetylcholine (ACh) to terminate neuronal transmission and signaling between synapses.

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A new therapy against MDR bacteria by in silico virtual screening of Pseudomonas aeruginosa LpxC inhibitors

Liu et al. | Apr 27, 2022

A new therapy against MDR bacteria by <em>in silico</em> virtual screening of <em>Pseudomonas aeruginosa</em> LpxC inhibitors

Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

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Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

Ramprasad et al. | Mar 18, 2020

Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

In this study, the authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.

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Specific Transcription Factors Distinguish Umbilical Cord Mesenchymal Stem Cells From Fibroblasts

Park et al. | Aug 16, 2019

Specific Transcription Factors Distinguish Umbilical Cord Mesenchymal Stem Cells From Fibroblasts

Stem cells are at the forefront of research in regenerative medicine and cell therapy. Two essential properties of stem cells are self-renewal and potency, having the ability to specialize into different types of cells. Here, Park and Jeong took advantage of previously identified stem cell transcription factors associated with potency to differentiate umbilical cord mesenchymal stem cells (US-MSCs) from morphologically similar fibroblasts. Western blot analysis of the transcription factors Klf4, Nanog, and Sox2 revealed their expression was unique to US-MSCs providing insight for future methods of differentiating between these cell lines.

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Evaluation of Tea Extract as an Inhibitor of Oxidative Stress in Prostate Cells

Zhang et al. | Jan 22, 2019

Evaluation of Tea Extract as an Inhibitor of Oxidative Stress in Prostate Cells

One important factor that contributes to human cancers is accumulated damage to cells' DNA due to the oxidative stress caused by free radicals. In this study, the authors investigate the effects of several different tea leaf extracts on oxidative stress in cultured human prostate cells to see if antioxidants in the tea leaves could help protect cells from this type of DNA damage. They found that all four types of tea extract (as well as direct application of the antioxidant EGCG) improved the outcomes for the cultured cells, with white tea extract having the strongest effect. This research suggests that tea extracts and the antioxidants that they contain may have applications in the treatment of the many diseases associated with cellular DNA damage, including cancer.

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Mutation of the Catalytic Cysteine in Anopheles gambiae Transglutaminase 3 (AgTG3) Abolishes Plugin Crosslinking Activity without Disrupting Protein Folding Properties

Pham et al. | May 02, 2014

Mutation of the Catalytic Cysteine in <em>Anopheles gambiae</em> Transglutaminase 3 (AgTG3) Abolishes Plugin Crosslinking Activity without Disrupting Protein Folding Properties

Malaria is a major public health issue, especially in developing countries, and vector control is a major facet of malaria eradication efforts. Recently, sterile insect technique (SIT), or the release of sterile mosquitoes into the wild, has shown significant promise as a method of keeping vector populations under control. In this study, the authors investigate the Anopheles gambiae transglutaminase 3 protein (AgT3), which is essential to the mating of the Anopheles mosquito. They show that an active site mutation is able to abolish the activity of the AgT3 enzyme and propose it as a potential target for chemosterilant inhibitors.

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