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.

We systematically evaluated the effects of raw material composition, heat treatment, and mechanical properties on 13-8PH stainless steel alloy. The results of the neural network models were in agreement with experimental results and aided in the evaluation of the effects of aging temperature on double shear strength. The data suggests that this model can be used to determine the appropriate 13-8PH alloy aging temperature needed to achieve the desired mechanical properties, eliminating the need for many costly trials and errors through re-heat treatments.

Microbial fuel cells (MFCs) are bio-electrochemical systems that utilize bacteria and are promising forms of alternative energy. Similar to chemical fuel cells, MFCs employ both an anode (accepts electrons) and a cathode (donates electrons), but in these devices the live bacteria donate the electrons necessary for current. In this study, the authors assess the functionality of a photosynthetic MFC that utilizes a purple non-sulfur bacterium. The MFC prototype they constructed was found to function over a range of environmental conditions, suggesting its potential use in industrial models.

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.

In this study, the authors investigate the suitability of using bacterial cellulose as a scaffold for cell transplants. Interestingly, this cellulose is a can be found in the discard from a symbiotic culture of bacteria and yeast (SCOBY) used to make kombucha.

Dhar and colleagues established a Type II diabetes mellitus (T2DM) model in fruit flies, using this model to induce insulin resistance and characterize the effects Resveratrol and Pterostilbene on a number of growth and activity metrics. Resveratrol and Pterostilbene treatment notably overturned the weight gain and glucose levels. The results of this study suggest that Drosophila can be utilized as a model organism to study T2DM and novel pharmacological treatments.

In this study, the authors ask whether a Tau immunotherapy treatment, Hsp70 protein treatment, or dual treatment approach of both the Tau imunotherapy treatment and Hsp70 protein treatment leads to a greater reduction in Tau protein concentration in Alzheimer's disease. Overall, they conclude that the effectiveness of the treatment ultimately relies on the stage of Alzheimer’s.

The authors explore hearing students' misconceptions about the Deaf and Hard of Hearing (HoH) community. Results indicate that some misconceptions are more common than others, and that personal experience with individuals in the Deaf and HoH community reduces the frequency of such misconceptions.

In this article the authors address the complex and life quality-diminishing neurodegenerative disease known as Parkinson's. Although genetic and/or environmental factors contribute to the etiology of the disease, the diagnostic symptoms are the same. By genetically modifying fruit flies to exhibit symptoms of Parkinson's disease, they investigate whether drugs that inhibit mitochondrial calcium uptake or activate the lysosomal degradation of proteins could improve the symptoms of Parkinson's these flies exhibit. The authors report the most promising outcome to be that when both types of drugs were used together. Their data provides encouraging evidence to support further investigation of the utility of such drugs in the treatment of human Parkinson's patients.

Over the last few decades, childhood stunting has persisted as a major global challenge. This study hypothesized that TPTO (Tree-based Pipeline Optimization Tool), an AutoML (automated machine learning) tool, would outperform all pre-existing machine learning models and reveal the positive impact of economic prosperity, strong familial traits, and resource attainability on reducing stunting risk. Feature correlation plots revealed that maternal height, wealth indicators, and parental education were universally important features for determining stunting outcomes approximately two years after birth. These results help inform future research by highlighting how demographic, familial, and socio-economic conditions influence stunting and providing medical professionals with a deployable risk assessment tool for predicting childhood stunting.