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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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Development of anti-cancer bionanoparticles isolated from corn for bone cancer treatment

Richardson et al. | Apr 20, 2023

Development of anti-cancer bionanoparticles isolated from corn for bone cancer treatment

This study hypothesizes that nanoparticles derived from corn (cNPs)may have anti-proliferative effects on bone cancer and metastasized bone cancer. It finds that human osteosarcoma and human lung carcinoma metastasized to bone marrow cell viability decreased to 0% when treated with cNPs. Overall, these results indicate that cNPs have anti-proliferative effects on bone cancer cells and cancer cells that metastasize to the bone.

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siRNA-dependent KCNMB2 silencing inhibits lung cancer cell proliferation and promotes cell death

Jeong et al. | Nov 01, 2022

siRNA-dependent KCNMB2 silencing inhibits lung cancer cell proliferation and promotes cell death

Here, seeking to better understand the genetic associations underlying non-small cell lung cancer, the authors screened hundreds of genes, identifying that KCNMB2 upregulation was significantly correlated with poor prognoses in lung cancer patients. Based on this, they used small interfering RNA to decrease the expression of KCNMB2 in A549 lung cancer cells, finding decreased cell proliferation and increased lung cancer cell death. They suggest this could lead to a new potential target for lung cancer therapies.

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Variations in Heat Absorption and Release of Earth Surfaces During Fall in Laramie, Wyoming

Ramesh et al. | Sep 08, 2020

Variations in Heat Absorption and Release of Earth Surfaces During Fall in Laramie, Wyoming

Here the authors investigate the contributions of man-made surfaces in Laramie, Wyoming to the Urban Heat Island (UHI) effect. Heat absorption and release by five surfaces were measured in the autumn of 2018. By recording temperatures of man-made and natural surfaces at early morning, mid-afternoon, and evening using an infrared thermometer, the authors determined that man-made surfaces retained more heat in fall than natural surfaces.

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Contrasting role of ASCC3 and ALKBH3 in determining genomic alterations in Glioblastoma Multiforme

Sriram et al. | Sep 27, 2022

Contrasting role of <i>ASCC3</i> and <i>ALKBH3</i> in determining genomic alterations in Glioblastoma Multiforme

Glioblastoma Multiforme (GBM) is the most malignant brain tumor with the highest fraction of genome alterations (FGA), manifesting poor disease-free status (DFS) and overall survival (OS). We explored The Cancer Genome Atlas (TCGA) and cBioportal public dataset- Firehose legacy GBM to study DNA repair genes Activating Signal Cointegrator 1 Complex Subunit 3 (ASCC3) and Alpha-Ketoglutarate-Dependent Dioxygenase AlkB Homolog 3 (ALKBH3). To test our hypothesis that these genes have correlations with FGA and can better determine prognosis and survival, we sorted the dataset to arrive at 254 patients. Analyzing using RStudio, both ASCC3 and ALKBH3 demonstrated hypomethylation in 82.3% and 61.8% of patients, respectively. Interestingly, low mRNA expression was observed in both these genes. We further conducted correlation tests between both methylation and mRNA expression of these genes with FGA. ASCC3 was found to be negatively correlated, while ALKBH3 was found to be positively correlated, potentially indicating contrasting dysregulation of these two genes. Prognostic analysis showed the following: ASCC3 hypomethylation is significant with DFS and high ASCC3 mRNA expression to be significant with OS, demonstrating ASCC3’s potential as disease prediction marker.

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A study on the stretching behavior of rubber bands

Davuluri et al. | Jan 18, 2022

A study on the stretching behavior of rubber bands

Here, the authors considered the stretching behavior of rubber bands by exposing the rubber bands to increasing loads and measuring their stretch response. They found that a linear stretch response was observed for intermediate loading steps, but this behavior was lost at lower or higher loads, deviating from Hooke's Law. The authors suggest that studies such as these can be used to evaluate other visco-elastic structures.

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