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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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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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It's better than me: Investigating the psychological risks of AI on self-esteem

Kim et al. | Sep 07, 2026

It's better than me: Investigating the psychological risks of AI on self-esteem

Here the authors investigated whether frequent use of generative AI tools triggers upward social comparison and negatively impacts users' performance self-esteem. Based on a survey of 121 adults, they found no significant relationship between AI usage and self-esteem, concluding that current chatbot interactions do not pose the same psychological threat as peer-based comparisons.

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A multi-dimensional analysis of NFL red zone efficiency

Kim et al. | Mar 16, 2026

A multi-dimensional analysis of NFL red zone efficiency
Image credit: Ben Hershey

Here the authors investigated the relationship between offensive play-calling styles and scoring success within the NFL's red zone by analyzing play-by-play data and expected points metrics. Their findings suggest that a conservative approach to play design and execution is more strongly associated with maximizing efficiency and point-value gains than aggressive strategies.

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