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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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Effect of Natural Compounds Curcumin and Nicotinamide on α-synuclein Accumulation in a C. elegans Model of Parkinson’s Disease

Mehrotra et al. | Jan 29, 2018

Effect of Natural Compounds Curcumin and Nicotinamide on α-synuclein Accumulation in a C. elegans Model of Parkinson’s Disease

Parkinson's disease is a neurodegenerative disorder that affects over 10 million people worldwide. It is caused by destruction of dopamine-producing neurons, which results in severe motor and movement symptoms. In this study, the authors investigated the anti-Parkinsonian effects of two natural compounds curcumin and nicotinamide using C. elegans as a model organism.

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Mutation of the Catalytic Cysteine in Anopheles gambiae Transglutaminase 3 (AgTG3) Abolishes Plugin Crosslinking Activity without Disrupting Protein Folding Properties

Pham et al. | May 02, 2014

Mutation of the Catalytic Cysteine in <em>Anopheles gambiae</em> Transglutaminase 3 (AgTG3) Abolishes Plugin Crosslinking Activity without Disrupting Protein Folding Properties

Malaria is a major public health issue, especially in developing countries, and vector control is a major facet of malaria eradication efforts. Recently, sterile insect technique (SIT), or the release of sterile mosquitoes into the wild, has shown significant promise as a method of keeping vector populations under control. In this study, the authors investigate the Anopheles gambiae transglutaminase 3 protein (AgT3), which is essential to the mating of the Anopheles mosquito. They show that an active site mutation is able to abolish the activity of the AgT3 enzyme and propose it as a potential target for chemosterilant inhibitors.

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How visualization influences strength endurance

Moore et al. | Jul 06, 2022

How visualization influences strength endurance

Recognizing a potential link between mental focus and physical endurance, here, the authors considered the effects of mental visualization on strength endurance. By comparing the number of repetitions completed in sets where the lifter was aware of the weight to be lifted against sets where the lifter was kept unaware, they found that the lifter was able to maintain strength endurance when unable to accurately visualize the weight they lifted in this exploratory study.

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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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A Novel Method for Assessment of Proprioception

Trevithick et al. | Jun 22, 2018

A Novel Method for Assessment of Proprioception

Trevithick & Park were interested in whether proprioception, the sense of the relative position of body parts and movement, differed between varsity and non-varsity athletes, as well as between the sport practiced. The authors found that there was no correlation between athleticism and better proprioception, but that dancers had superior proprioceptive abilities compared to those that practiced other sports.

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Functional Network Connectivity: Possible Biomarker for Autism Spectrum Disorders (ASD)

Wang et al. | Feb 23, 2015

Functional Network Connectivity: Possible Biomarker for Autism Spectrum Disorders (ASD)

Autism spectrum disorder (ASD) is a complex neurodevelopmental disorder and is difficult to diagnose in young children. Here magnetoencephalography was used to compare the brain activity in patients with ASD to patients in a control group. The results show that patients with ASD have a high level of activity in different areas of the brain than those in the control group.

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The Effects of Ezetimibe on Triglyceride and Alanine Transaminase Reduction in Drosophila Melanogaster Model of Nonalcoholic Fatty Liver Disease (NAFLD)

Dania et al. | Apr 30, 2020

The Effects of Ezetimibe on Triglyceride and Alanine Transaminase Reduction in <i>Drosophila Melanogaster</i> Model of Nonalcoholic Fatty Liver Disease (NAFLD)

Nonalcoholic Fatty Liver Disease (NAFLD) is a condition where a surplus of triglycerides or fat are present in the liver. In this study, ezetimibe, a cholesterol lowering drug, was used to treat flies modeling NAFLD. Compared to the coconut oil fed flies that were transferred to the control medium, the flies transferred to the control medium treated with ezetimibe showed a decrease in their triglyceride and alanine transaminase level.

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Utilizing the Magnus effect to produce more downforce than a standard wing

Angiras et al. | Aug 15, 2022

Utilizing the Magnus effect to produce more downforce than a standard wing

Here, seeking a better solution to produce downforce that keeps a vehicle grounded at high speeds than wings which tend to result in degraded car performance due to increased air resistance, the authors considered using the Magnus effect as a replacement. The authors found that a spinning cylinder generated significantly more downforce through the Magnus effect than a standard wing at all wind speeds as simulated through the use of a leaf blower. They suggest that a cylinder could be a potential replacement for a wing when downforce is a priority.

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