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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.

Recent declines in the brook trout population of the Lake Champlain Basin have made the genetic screening of this and other trout species of utmost importance. In this study, the authors collected and analyzed 21 DNA samples from Lake Champlain Basin trout populations and performed a phylogenetic analysis on these samples using the cytochrome b gene. The findings presented in this study may influence future habitat decisions in this region.

Classifying medical text data using vector databases and text embedding

Machine translation remains a challenging area in artificial intelligence, with neural machine translation (NMT) making significant strides over the past decade but still facing hurdles, particularly in translation quality due to the reliance on expensive bilingual training data. This study explores whether large language models (LLMs), like GPT-4, can be effectively adapted for translation tasks and outperform traditional NMT systems.

High school and university students have various motivations for participating in research, ranging from strengthening their applications for university to building skills for a research career. Jubair and Islam survey Bangladeshi high school and university students to uncover their motivations and inspirations for participating in research.

The authors test different machine learning algorithms to remove background noise from audio to help people with hearing loss differentiate between important sounds and distracting noise.

Autism spectrum disorder (ASD) is hard to correctly diagnose due to the very subjective nature of diagnosing it: behavior analysis. Due to this issue, we sought to find a machine learning-based method that diagnoses ASD without behavior analysis or helps reduce misdiagnosis.

The authors looked at the relation between stress and motivation in high school students with 4+ AP classes that also played a varsity sport. No distinct correlation was observed, however, results indicated that there are other factors at play that influence both stress and motivation.

The authors looked at biomarkers in glioblastoma patients they hypothesized to be correlated with survival rate. Ultimately they did not find hMSH2 or hMSH6, genes involved in mismatch repair, to be significantly associated with outcomes related to increased survival.

The authors test whether soaking maize seeds in a solution of melatonin improves seed germination and drought tolerance.