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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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Impact of salinity and phosphorus on growth of Phaseolus Vulgaris inoculated with Arbuscular Mycorrhizal Fungi

Matanachai et al. | Jun 16, 2022

Impact of salinity and phosphorus on growth of <em>Phaseolus Vulgaris</em> inoculated with Arbuscular Mycorrhizal Fungi

Here, recognizing a declining supply of rock phosphate, as well as its role in crop fertilization, the authors investigated a fungus that forms a symbiotic relationship with many crops. They found that symbiosis between the fungus and common bean plant increased the affinity of the plant towards absorbing nutrients as evidenced by lower root-to-shoot ratios in beans planted in soil with various concentrations of phosphorous and salinity.

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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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Optimizing airfoil shape for small, low speed, unmanned gliders: A homemade investigation

Lara et al. | Mar 30, 2023

Optimizing airfoil shape for small, low speed, unmanned gliders: A homemade investigation
Image credit: Konrad Wojciechowski

Here, the authors sought to identify a method to optimize the lift generated by an airfoil based solely on its shape. By beginning with a Bernoullian model to predict an optimized wing shape, the authors then tested their model against other possible shapes by constructing them from Styrofoam and testing them in a small wind tunnel. Contrary to their hypothesis, they found their expected optimal airfoil shape did not result in the greatest lift generation. They attributed this to a variety of confounding variables and concluded that their results pointed to a correlation between airfoil shape and lift generation.

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