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.
Human intelligence is correlated with variation in the protein neuroplastin-65, which is encoded by the NPTN gene. The authors examine the evolution of this gene across different animal species.
Commercial Concentrated Animal Feeding Operations (CAFOs) produce large quantities of waste material from the animals being housed in them. These feedlots found across the United States contain livestock that produce waste that results in hazardous runoff. This study examines how CAFOs affect water sources by testing for Escherichia Coli (E. coli) content in bodies of water near CAFOs.
The degeneration of nerve cells in the brain can lead to pathologies such as Parkinson’s disease. It has been suggested that neurons in humans may regenerate. In this study, the effect of different doses of caffeine on regeneration was explored in the planeria model. Caffeine has been shown to enhance dopamine production, and dopamine is found in high concentrations in regenerating planeria tissues. Higher doses of caffeine accelerated planeria regeneration following decapitation, indicating a potential role for caffeine as a treatment to stimulate regeneration.
Overwatering and underwatering grass are widespread issues with environmental and financial consequences. This study developed an accessible method to assess grass water use efficiency (WUE) combining smartphone imaging with open access color unmixing analysis. The method can be applied in automated irrigation systems or apps, providing grass WUE assessment for regular consumer use.
Heliobacter felis causes gastritis which is accompanied by a range of unpleasant symptoms in small animals such as cats. In order to identify effective antibiotics for treating H. felis infections, the researchers investigate whether a combination of different antibiotics is more effective than the use of individual antibiotics alone. Of the antibiotics they selected, Streptomycin alone was better than any other single antibiotic or in combination. Their results have not yet been validated in live animals, but suggest that Streptomycin alone might be an effective treatment of H. felis-induced gastritis in cats.
In this study, the biodiversity of marine animals was studied at different locations along a mangrove, which is a salt-tolerant shrub with elaborate root structures that is found on tropical coastlines.
Music can affect the behavior of humans and other animals. In this study, the authors studied five types of music with different tempos and demonstrated how each one affected dogs' heart rates.
Antibiotics are used to treat dangerous diseases. Over time, however, bacteria are becoming resistant to antibiotics - which poses a threat to humans and animals alike. In this paper, the authors examine how E. coli gains resistance to the antibiotic amoxicillin.
Acquired immunodeficiency syndrome (AIDS) is a life-threatening condition caused by the human immunodeficiency virus (HIV). In this work, Takemaru et al explored the role of Coiled-Coil Domain-Containing 11 (CCDC11) in HIV-1 budding. Their results suggest that CCDC11 is critical for efficient HIV-1 budding, potentially indicating CCDC11 a viable target for antiviral therapeutics without major side effects.