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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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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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Reduce the harm of acid rain to plants by producing nitrogen fertilizer through neutralization

Xu et al. | Apr 25, 2023

Reduce the harm of acid rain to plants by producing nitrogen fertilizer through neutralization
Image credit: Ave Calvar Martinez, pexels.com

The phenomenon of dying trees and plants in areas affected by acid rain has become increasingly problematic in recent times. Is there any method to efficiently utilize the rainwater and reduce the harmfulness of acid rain or make it beneficial to plants? This study aimed to investigate the potential of neutralizing acid rainwater infiltrating the soil to increase soil pH, produce beneficial salts for plants, and support better plant growth. To test this hypothesis, precipitation samples were collected from six states in the U.S. in 2022, and the pH of the acid rain was measured to obtain a representative pH value for the country. Experiments were then conducted to simulate the neutralization of acid rain and the subsequent change in soil pH levels. To evaluate the effectiveness and feasibility of this method, cat grass was planted in pots of soil soaked with solutions mimicking acid rain, with control and experimental groups receiving neutralizing agents (ammonium hydroxide) or not. Plant growth was measured by analyzing the height of the plants. Results demonstrated that neutralizing agents were effective in improving soil pH levels and that the resulting salts produced were beneficial to the growth of the grass. The findings suggest that this method could be applied on a larger agricultural scale to reduce the harmful effects of acid rain and increase agricultural efficiency.

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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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Combating drug resistance in cancer cells: Cooperative effect of green tea and turmeric with chemotherapeutic drug

Nair et al. | Jul 27, 2020

Combating drug resistance in cancer cells: Cooperative effect of green tea and turmeric with chemotherapeutic drug

The major drawback of chemotherapy regimens for treating cancer is that the cancerous cells acquire drug resistance and become impervious to further dose escalation. Keeping in mind the studied success of herbal formulations with regard to alternative treatments for cancer, we hypothesized that the use of a chemotherapeutic drug and proprietary herbal formulation, HF1, would combat this phenomenon when administered with common chemotherapeutic drug 5FU. Results demonstrated a cooperative effect between HF1 and 5FU on the drug resistant cell line, implying that administration of HF1 with 5FU results in cell death as measured by MTT assay.

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Is Cloud Cover One of the Effects of Climate Change?

Crair et al. | Mar 27, 2014

Is Cloud Cover One of the Effects of Climate Change?

Climate change is one of the most controversial challenges humans face. Here the authors investigate the dual role of clouds - to reflect incoming light away from the Earth and to reflect heat energy back toward the Earth's surface. They find that the amount of incident light energy and surface temperature decreases as the sky becomes cloudier. These results will inform longer-term studies that may compare against the amount of energy clouds reflect back toward the Earth.

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Exploring natural ways to maintain keratin production in hair follicles

Roy et al. | Apr 29, 2024

Exploring natural ways to maintain keratin production in hair follicles
Image credit: Roy and Roy, 2024

We are looking into natural ways to help hair grow better and stronger by studying keratin synthesis in human hair follicles. The reason for conducting this research was to have the ability to control hair growth through future innovations. We wanted to answer the question: How can we find natural ways to enhance hair growth by understanding the connection with natural resources, particularly keratin dynamics? The main focus of this experiment is understanding the promotion of keratin synthesis within human hair follicles, which is important for hair development and health. While keratin is essential for the growth and strength of body tissues, including skin and hair, our research hints at its specific synthesis within hair follicles. In our research utilizing castor oil, coconut oil, a turmeric and baking soda mixture, and a sugar, honey, and lemon mixture, we hypothesize that oils, specifically coconut oil and castor oil, will enhance keratin synthesis, whereas mixtures, such as the turmeric and baking soda mixture and the sugar, honey, and lemon mixture, will result in a decrease keratin synthesis. The methods used show how different natural substances influence keratin formation within the hair follicles. The experiment involved applying natural resources to hair strands and follicles, measuring their length under the microscope daily, and assessing their health and characteristics over seven days. In summary, our research helps us understand how hair grows better. We found that using natural items like essential oils effectively alters keratin growth within the hair follicles and hair strands.

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