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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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The Bioactive Ingredients in Niuli Lactucis Agrestibus Possess Anticancer Effects

Zhu et al. | Sep 17, 2019

The Bioactive Ingredients in Niuli Lactucis Agrestibus Possess Anticancer Effects

In​ the​ field​ of​ medicine,​ natural​ treatments​ are​ becoming ​increasingly ​vital ​towards ​the ​cure ​of ​cancer. Zhu et al. wanted to investigate the effects of lettuce extract on cancer cell survival and proliferation. They used an adenocarcinoma cell line, COLO320DM, to determine whether crude extract from a lettuce species called Niuli​ Lactucis Agrestibus​ would affect cancer cell survival, migration, and proliferation. They found that Niuli extract inhibited cancer cell survival, increased expression of cell cycle inhibitors p21 and p27, and inhibited migration. However, Niuli extract did not have these effects on healthy cells. This work reveals important findings about a potential new source of anti-colorectal cancer compounds.

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Determining the Habitable Zone Around a Star

Lee et al. | May 29, 2013

Determining the Habitable Zone Around a Star

Life requires many things, including a hospitable temperature, elements, and energy. Here the authors utilize Newton's laws of physics and information relating a star's luminosity and temperature to determine the minimum and maximum masses and luminosities of planets and stars that would support life as we know it. This work can be used to determine the likelihood of a planet being able to support life based on attributes we can measure from here on Earth.

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Optimizing Interplanetary Travel Using a Genetic Algorithm

Murali et al. | Oct 28, 2018

Optimizing Interplanetary Travel Using a Genetic Algorithm

In this work, the authors develop an algorithm that solves the problem of efficient space travel between planets. This is a problem that could soon be of relevance as mankind continues to expand its exploration of outer space, and potentially attempt to inhabit it.

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Exploring the Factors that Drive Coffee Ratings

Agarwal et al. | May 19, 2025

Exploring the Factors that Drive Coffee Ratings

This study explores the factors that influence coffee quality ratings using data from the Coffee Quality Institute. Through a regression model based on gradient descent, the authors aimed to predict coffee ratings (total cup points) and hypothesized that sweetness and the coffee producer would be the most influential factors.

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Implication of education levels on gender wage gap across states in the United States and Puerto Rico

Dash et al. | Apr 16, 2025

Implication of education levels on gender wage gap across states in the United States and Puerto Rico

Here the authors examined the relationship between education levels and the gender wage gap (GWG) in the US and Puerto Rico from 2010 to 2022, hypothesizing that higher education would correlate with a lower GWG. Their analysis of income data revealed an inverse correlation, where higher education levels were associated with reduced gender wage disparities, suggesting that policies aimed at closing the gender gap in higher education could promote socioeconomic equality.

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