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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

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.

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Antimicrobial properties of common household spices on microbes cultured from two kitchen locations

Carroll et al. | May 12, 2022

Antimicrobial properties of common household spices on microbes cultured from two kitchen locations

The number of bacterial infections in humans is rising, and a major contributor is foodborne illnesses, which affect a large portion of the population and result in many hospitalizations and deaths. Common household cleaners are an effective strategy to combat foodborne illness, but they are often costly and contain harmful chemicals. Thus, the authors sought to test the antimicrobial effectiveness of spices (clove, nutmeg, astragalus, cinnamon, turmeric, and garlic) on microbes cultured from refrigerator handles and cutting boards. Results from this study demonstrate long-lasting, antimicrobial effects of multiple spices that support their use as alternatives to common household cleaners.

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The Potential of Fibroblast Growth Factors to Stimulate Hair Growth In Vitro

Cheng et al. | Nov 07, 2021

The Potential of Fibroblast Growth Factors to Stimulate Hair Growth In Vitro

Identifying treatments that can stimulate hair growth use could help those struggling with undesirable hair loss. Here, the authors show that Fibroblast Growth Factors can stimulate the division of cells isolated from the mouse hair follicle. Their results suggest that this family of growth factors might be helpful in stimulating hair growth in living animals as well.

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A Novel Method for Auto-Suturing in Laparoscopic Robotic-Assisted Coronary Artery Bypass Graft (CABG) Anastomosis

Levy et al. | Jun 21, 2018

A Novel Method for Auto-Suturing in Laparoscopic Robotic-Assisted Coronary Artery Bypass Graft (CABG) Anastomosis

Levy & Levy tackle the optimization of the coronary artery bypass graft, a life-saving surgical technique that treats artery blockage due to coronary heart disease. The authors develop a novel auto-suturing method that saves time, allows for an increased number of sutures, and improves graft quality over hand suturing. The authors also show that increasing the number of sutures from four to five with their new method significantly improves graft quality. These promising findings may help improve outcomes for patients undergoing surgery to treat coronary heart disease.

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Intra and interspecies control of bacterial growth through extracellular extracts

Howe et al. | Jun 07, 2024

Intra and interspecies control of bacterial growth through extracellular extracts

The study discusses the relationship between bacterial species and the human gut microbiome, emphasizing the role of quorum sensing molecules in bacterial communication and its implications for health. Authors investigated the impact of bacterial supernatants from Escherichia coli (E. coli) on the growth of new E. coli and Enterobacter aerogenes (E. aerogenes) cultures.

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