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.

Each day we are flooded with new items that promise us a better experience at a better price. This forces buyers to continuously chose between sticking to what they know, or trying something new. In turn, companies need to be aware of the factors affecting consumer choices, that too within the different fractions of society. In this study the authors investigate the effect of survey-based price setting on profits made based on African American teen purchases, and how African-American teen loyalty to a particular brand affects their willingness to pay a higher price than the market average for their preferred brand items.

The Default Mode Network (DMN) is a network of connected brain regions that are active when the brain is not focused on external tasks. Minor brain injuries, such as concussions, can affect this network and manifest symptoms. In this study, the authors examined correlations between DMN age and post-concussion symptoms in previously concussed individuals and healthy controls.

In this study, the authors use aerosol optical depth data to determine if aerosol levels were lower in major metropolitan areas around the world during the COVID-19 pandemic.