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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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Harvesting Atmospheric Water

Greenwald et al. | Jul 10, 2020

Harvesting Atmospheric Water

The objective of this project was to test various materials to determine which ones collect the most atmospheric water when exposed to the same environmental factors. The experiment observed the effect of weather conditions, a material’s surface area and hydrophilicity on atmospheric water collection. The initial hypothesis was that hydrophobic materials with the greatest surface area would collect the most water. The materials were placed in the same outside location each night for twelve trials. The following day, the materials were weighed to see how much water each had collected. On average, ribbed plastic collected 10.8 mL of water per trial, which was over 20% more than any other material. This result partially supported the hypothesis because although hydrophobic materials collected more water, surface area did not have a significant effect on water collection.

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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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Friend or Foe: Investigating the Relationship between a Corn Crop and a Native Ragweed Population

Wainwright et al. | May 07, 2014

Friend or Foe: Investigating the Relationship between a Corn Crop and a Native Ragweed Population

Farmers will need to increase crop yields to feed the world's growing population efficiently. The authors here investigate the effects of growing corn in the presence or absence of ragweed, an invasive weed found in many fields and gardens. Surprisingly, the authors found that corn grown in the presence of weeds grew taller and were more productive than corn that had weeds removed. This may help gardeners rethink the necessity of weeding, and may point a way to improve farm yields in the future.

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Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad-spectrum antibiotics

Sun et al. | May 10, 2021

Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad-spectrum antibiotics

We hypothesize that berberine has broad-spectrum antibacterial properties, along with potency that is comparable to current broad-spectrum antibiotics that are commercially available. Here, we screened berberine against four strains of bacteria and evaluated its antimicrobial activity against five broad-spectrum antibiotics from different classes to better quantify berberine’s antibacterial activity and compare its efficacy as an antibacterial agent to the broad-spectrum antibiotics. Our results indicated that berberine had strain-selective cytotoxic effects and was significantly less potent than most of the broad-spectrum antibiotics

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Zinc-related Treatments Combined with Chloroquine and Gemcitabine for Treating Pancreatic Cancer

Ma et al. | Sep 11, 2021

Zinc-related Treatments Combined with Chloroquine and Gemcitabine for Treating Pancreatic Cancer

Pancreatic cancer is one of the deadliest cancers, with a 10% 5-year survival rate. The authors studied various dosages of TPEN and zinc in combination with Chloroquine and Gemcitabine as treatments to reduce cell proliferation. Results showed that when combined with Chloroquine and Gemcitabine, zinc and TPEN both significantly lowered cell proliferation compared to Gemcitabine, suggesting a synergistic effect that resulted in a more cytotoxic treatment. Further research and clinical trials on this topic are needed to determine whether this could be a viable treatment for pancreatic cancer.

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An Analysis of Soil Microhabitats in Revolutionary War, Civil War, and Modern Graveyards on Long Island, NY

Caputo et al. | May 05, 2019

An Analysis of Soil Microhabitats in Revolutionary War, Civil War, and Modern Graveyards on Long Island, NY

Previously established data indicate that cemeteries have contributed to groundwater and soil pollution, as embalming fluids can impact the microbiomes that exist in decomposing remains. In this study, Caputo et al hypothesized that microbial variation would be high between cemeteries from different eras due to dissimilarities between embalming techniques employed, and furthermore, that specific microbes would act as an indication for certain contaminants. Overall, they found that there is a variation in the microbiomes of the different eras’ cemeteries according to the concentrations of the phyla and their more specific taxa.

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