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.

For public health, drinking water should be free of bacterial contamination. The objective of this research is to identify the fate of bacteria if drinking water becomes contaminated and inform consumers on which water type enables the least bacteria to survive. We hypothesized that bottled mineral water would provide the most sufficient conditions for E. coli to survive. We found that if water becomes contaminated, the conditions offered by the three water types at room temperature allow E. coli to survive up to three days. At 72 hours, the bottled spring water had the highest average colony forming units (CFUs), with tap and mineral water CFU values statistically lower than spring water but not significantly different from each other. The findings of this research highlight the need of implementing accessible quality drinking water for the underserved population and for the regulation of water sources.

The Human Immunodeficiency Virus (HIV) infects approximately 40 million people globally, and one million people die every year from Acquired Immune Deficiency Syndrome (AIDS)-related illnesses. This study examined the interactions between the HIV-1 envelope glycoprotein gp120 and the human lymphocyte receptor integrin α4β7, the putative first long-range receptor for the envelope glycoprotein of the virus in mucosal tissues. Presented data support the claim that the V1 loop is involved in the binding between α4β7 and the HIV-1 envelope glycoprotein through molecular dockings.

Climate change is predicted to increase the frequency of severe thunderstorm events in coming years. In this study, the authors hypothesized that (i) the majority of severe thunderstorm events will occur in the summer months in all states examined for all years analyzed, (ii) climate change will cause an unusual number of severe thunderstorm events in winter months in all states, (iii) thundersnow would be observed in Colorado, and (iv.) there would be no difference in the number of severe thunderstorm events between states in any given year examined. They classified lightning seasons in all states observed, with the most severe thunderstorm events occurring in May, June, July, and August. Colorado, New Jersey, Washington, and West Virginia were found to have severe thunderstorm events in the winter, which could be explained by increased winter storms due to climate change (1). Overall, they highlight the importance of quantifying when lightning seasons occur to avoid lightning-related injuries or death.