Browse Articles

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.

Read More...

Effects of vascular normalizing agents on immune marker expression in T cells, dendritic cells, and melanoma cells

Yaskolko et al. | Nov 03, 2021

Effects of vascular normalizing agents on immune marker expression in T cells, dendritic cells, and melanoma cells

Tertiary lymphoid structures (TLS) are lymph node-like structures that form at sites of inflammation, and their presence in cancer patients is predictive of a better clinical outcome. One significant obstacle to TLS formation is reduced immune cell infiltration into the tumor microenvironment (TME). Recent studies have shown that vasculature normalizing (VN) agents may override this defect to improve tissue perfusion and increased immune cell entry into the TME. However, their effects on immune cell and tumor cell phenotype remain understudied. Here the authors investigate whether treating tumor cells with VN would reduce their immunosuppressive phenotype and promote production of chemokine that recruit immune cells and foster TLS formation.

Read More...

Ground-based Follow-up Observations of TESS Exoplanet Candidates

Tang et al. | May 29, 2020

Ground-based Follow-up Observations of  TESS Exoplanet Candidates

The goal of this study was to further confirm, characterize, and classify LHS 3844 b, an exoplanet detected by the Transiting Exoplanet Survey Satellite (TESS). Additionally, we strove to determine the likeliness of LHS 3844 b and similar planets as qualified candidates for observation with the James Webb Space Telescope (JWST).

Read More...

The Role of Corresponding Race, Gender, and Species as Incentives for Charitable Giving

Antonides-Jensen et al. | Jul 31, 2019

The Role of Corresponding Race, Gender, and Species as Incentives for Charitable Giving

Inherent bias is often the unconscious driver of human behavior, and the first step towards overcoming these biases is our awareness of them. In this article the authors investigate whether race, gender or species affect the choice of charity by middle class Spaniards. Their conclusions serve as a starting point for further studies that could help charities refine their campaigns in light of these biases effectively transcending them or taking advantage of them to improve their fundraising attempts.

Read More...

Simulations of Cheetah Roaming Demonstrate the Effect of Safety Corridors on Genetic Diversity and Human-Cheetah Conflict

Acton et al. | Apr 02, 2018

Simulations of Cheetah Roaming Demonstrate the Effect of Safety Corridors on Genetic Diversity and Human-Cheetah Conflict

Ecological corridors are geographic features designated to allow the movement of wildlife populations between habitats that have been fragmented by human landscapes. Corridors can be a pivotal aspect in wildlife conservation because they preserve a suitable habitat for isolated populations to live and intermingle. Here, two students simulate the effect of introducing a safety corridor for cheetahs, based on real tracking data on cheetahs in Namibia.

Read More...

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.

Read More...

Search Articles

Search articles by title, author name, or tags

Clear all filters

Popular Tags

Browse by school level