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.

Pillai et al. look at whether exposure to Schistosoma mansoni, a parasitic blood fluke, has any relation to peanut allergies. They found that cockroaches exposed to an antigen found in S. mansoni eggs exhibited an allergic reaction to peanuts.

In this study, the authors investigate the effects that flagella have on E. coli's ability to adhere to glass surfaces.

In order to determine whether unmarked soybeans in the market were genetically modified crops, the authors developed a polymerase chain reaction (PCR) screen for DNA lectin.

In this study, potential physiological effects of Red 40 food dye, found in many different food products, are tested using Daphnia magna, a small freshwater crustacean.

Salmonella is a genus of bacteria responsible for over 90 million cases of intestinal illnesses yearly. Like many bacteria, Salmonella can create a biofilm matrix, which confers stronger resistance against antibiotics. However, there has been relatively little research on the inhibition of Salmonella biofilm formation, which is a crucial factor in its widespread growth. In this study, Lee and Kim quantitatively measure the effectiveness of several common probiotics in inhibiting Salmonella bacterial growth. They found concentration-dependent antibacterial effects varied among the probiotics tested, indicating the possibility of probiotic species-specific mechanisms of Salmonella growth inhibition.

Coronary heart disease (CHD) is a global disease that causes fatal buildup of plaque in the arteries. Currently stents are placed in the artery for many patients with CHD to support proper blood flow. Here, the authors build a system to explore how the shape of the stent affects blood flow rate, a finding that can help optimize stents for patients.

Many common respiratory illnesses like bronchitis, asthma, and chronic obstructive pulmonary disease (COPD) lead to bronchial inflammation and, subsequently, a blockage. However, there are many difficulties in measuring the severity of the blockage. A numeric metric to determine the degree of the blockage severity is necessary. To tackle this demand, we aimed to develop a novel human respiratory model and design a deep-learning program that can constantly monitor and report bronchial blockage by recording breath sounds in a non-intrusive way.

The authors investigate how well AI-detection machine learning models can detect real versus AI-generated art across different art styles.

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