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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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Potential Multifunctional Agents for Dual Therapy of Age-Related and Associated Diseases: Alzheimer’s Disease and Type 2 Diabetes Mellitus

Kumar et al. | Nov 13, 2019

Potential Multifunctional Agents for Dual Therapy of Age-Related and Associated Diseases: Alzheimer’s Disease and Type 2 Diabetes Mellitus

Studies show an age-related link between Alzheimer’s Disease and Type 2 Diabetes Mellitus with oxidative stress a characteristic of both. Here, methanolic fractionations and extracts of four Ayurvedic plants were assessed for their protective abilities using a number of in vitro assays. Extracts inhibited oxidative stress and reduced activity of key enzymes involved in the pathogenesis of both diseases in neuroblastoma cells.

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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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How Ethanol Concentration Affects Catalase Catalysis of Hydrogen Peroxide

Liu et al. | Nov 15, 2021

How Ethanol Concentration Affects Catalase Catalysis of Hydrogen Peroxide

Catalase is a critical enzyme in the human body because it is capable of converting potentially dangerous hydrogen peroxide into water and oxygen. This work asks whether ethanol affects catalase activity, as alcohol consumption has been often linked to hepatitis occurring in the liver, where catalase level is especially high, and ethanol is known to be capable of denaturing proteins. Testing different concentrations of ethanol found that higher concentrations reduced the activity of catalase. This work has important implications on the negative effects of ethanol on metabolism, in which catalase plays an important role, and protein function more broadly.

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The Effects of Antibiotics on Nutrient Digestion

Murea et al. | Oct 06, 2017

The Effects of Antibiotics on Nutrient Digestion

One disadvantage of antibiotic therapy is the potential for unpleasant gastrointestinal side effects. Here, the authors test whether some common antibiotics directly interfere with the digestion of protein, fat, or sugars. This study provides motivation to more carefully investigate the interactions between antibiotics and gut enzymes in order to inform treatment decisions and improve patient outcomes.

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Utilizing a Wastewater-Based Medium for Engineered Saccharomyces cerevisiae for the Biological Production of Fatty Alcohols and Carboxylic Acids to Replace Petrochemicals

Ramesh et al. | Oct 02, 2019

Utilizing a Wastewater-Based Medium for Engineered <em>Saccharomyces cerevisiae</em> for the Biological Production of Fatty Alcohols and Carboxylic Acids to Replace Petrochemicals

Saccharomyces cerevisiae yeast is used to produce bioethanol, an alternative to fossil fuels. In this study, authors take advantage of this well studied yeast by genetically engineering them to increase fatty acid biosynthesis and culturing in a cost-effective wastewater based medium; potentially providing a sustainable alternative to petrochemicals.

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The Non-Thermal Effect of UV-B Irradiation on Onion Growth

Nashnoush et al. | Jun 09, 2020

The Non-Thermal Effect of UV-B Irradiation on Onion Growth

UV-B radiation due to the depletion of ozone threatens plant life, potentially damaging ecosystems and dismantling food webs. Here, the impact of UV-B radiation on the physiology and morphology of Allum cepa, the common onion, was assessed. Mitosis vitality decreased, suggesting UV-B damage can influence the plant’s physiology.

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