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High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

Shern et al. | Jan 20, 2021

High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

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Risk assessment modeling for childhood stunting using automated machine learning and demographic analysis

Sirohi et al. | Sep 25, 2022

Risk assessment modeling for childhood stunting using automated machine learning and demographic analysis

Over the last few decades, childhood stunting has persisted as a major global challenge. This study hypothesized that TPTO (Tree-based Pipeline Optimization Tool), an AutoML (automated machine learning) tool, would outperform all pre-existing machine learning models and reveal the positive impact of economic prosperity, strong familial traits, and resource attainability on reducing stunting risk. Feature correlation plots revealed that maternal height, wealth indicators, and parental education were universally important features for determining stunting outcomes approximately two years after birth. These results help inform future research by highlighting how demographic, familial, and socio-economic conditions influence stunting and providing medical professionals with a deployable risk assessment tool for predicting childhood stunting.

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Analysis of the Exoplanet HD 189733b to Confirm its Existence

Babaria et al. | Sep 21, 2020

Analysis of the Exoplanet HD 189733b to Confirm its Existence

In this study, the authors study features of exoplanet 189733 b. This exoplanet, or planets that orbit stars other than the Sun, is found in the HD star system. Using a DSLR camera, they constructed a high caliber exoplanet transit detection tracker to study the orbital periods, radial velocity, and photometry of 189733 b. They then compared results from their system to data collected by other high precision studies. What they found was that their system produced results supporting previously published studies. These results are exciting results from the solar system demonstrating the importance of validating radial velocity and photometry data using high-precision studies.

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Contribution of environmental factors to genetic variation in the Pacific white-sided dolphin

Talwar et al. | Jan 23, 2024

Contribution of environmental factors to genetic variation in the Pacific white-sided dolphin
Image credit: Flavio

Here the authors sought to understand the effects of different variables that may be tied to pollution and climate change on genetic variation of Pacific white-sided dolphins, a species that is currently threatened by water pollution. Based on environmental data collected alongside a genetic distance matrix, they found that ocean currents had the most significant impact on the genetic diversity of Pacific white-sided dolphins along the Japanese coast.

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Comparing Virulence of Three T4 Bacteriophage Strains on Ampicillin-Resistant and Sensitive E. coli Bacteria

Hudanich et al. | Dec 09, 2020

Comparing Virulence of Three T4 Bacteriophage Strains on Ampicillin-Resistant and Sensitive <em>E. coli</em> Bacteria

In this study, the authors investigate an alternative way to kill bacteria other than the use of antibiotics, which is useful when considering antibiotic-resistance bacteria. They use bacteriophages, which are are viruses that can infect bacteria, and measure cell lysis. They make some important findings that these bacteriophage can lyse both antibiotic-resistant and non-resistant bacteria.

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An Analysis on Exoplanets and How They are Affected by Different Factors in Their Star Systems

Selph et al. | Dec 06, 2018

An Analysis on Exoplanets and How They are Affected by Different Factors in Their Star Systems

In this article, the authors systematically study whether the type of a star is correlated with the number of planets it can support. Their study shows that medium-sized stars are likely to support more than one planet, just like the case in our solar system. They predict that, of the hundreds of planets beyond our solar system, 6% might be habitable. As humans work to travel further and further into space, some of those might truly be suited for human life.

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Increasing Average Yearly Temperature in Two U.S. Cities Shows Evidence for Climate Change

Savage et al. | Sep 20, 2018

Increasing Average Yearly Temperature in Two U.S. Cities Shows Evidence for Climate Change

The authors were interested in whether they could observe the effects of climate change by analyzing historical temperature data of two U.S. cities. They predicted that they should observe a warming trend in both cities. Their results showed that despite yearly variations, warming trends can be observed both in Rochester, NY and Seattle, WA which fit the predictions of climate change forecasts.

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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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