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A new therapy against MDR bacteria by in silico virtual screening of Pseudomonas aeruginosa LpxC inhibitors

Liu et al. | Apr 27, 2022

A new therapy against MDR bacteria by <em>in silico</em> virtual screening of <em>Pseudomonas aeruginosa</em> LpxC inhibitors

Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

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In silico modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Suresh et al. | Jan 10, 2022

<i>In silico</i> modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.

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Characterization of a UPEC DegS Mutant in vitro and in vivo

Bradley et al. | Mar 16, 2015

Characterization of a UPEC <em>DegS</em> Mutant <em>in vitro</em> and <em>in vivo</em>

DegS is an integral inner membrane protein in E. coli that helps break down misfolded proteins. When it is mutated, there is a large increase in the production of outer membrane vesicles (OMVs), which are thought to play a role in pathogenesis. This study used mutant strains of uropathogenic E. coli (UPEC) to characterize the role of DegS and OMVs on UPEC virulence.

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Development of selective RAC1/KLRN inhibitors

Kubrat Neczaj-Hruzewicz et al. | Nov 04, 2024

Development of selective RAC1/KLRN inhibitors

Kalirin is a guanine nucleotide exchange factor (GEF) for the GTPase RAC1, linked to schizophrenia and Alzheimer’s Disease. It plays a crucial role in synaptic plasticity by regulating dendritic spine formation and actin cytoskeleton remodeling, which are essential for creating new synapses. Authors developed two novel compounds targeting kalirin, confirming that predictive modeling can indicate biological activity.

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Testing Epoxy Strength: The High Strength Claims of Selleys’s Araldite Epoxy Glues

Nguyen et al. | Jul 14, 2020

Testing Epoxy Strength: The High Strength Claims of Selleys’s Araldite Epoxy Glues

Understanding the techniques used to improve the adhesion strength of the epoxy resin is important especially for consumer applications such as repairing car parts, bonding aluminum sheeting, and repairing furniture or applications within the aviation or civil industry. Selleys Araldite epoxy makes specific strength claims emphasizing that the load or weight that can be supported by the adhesive is 72 kg/cm2. Nguyen and Clarke aimed to test the strength claims of Selley’s Araldite Epoxy by gluing two steel adhesion surfaces: a steel tube and bracket. Results showed that there is a lack of consideration by Selleys for adhesion loss mechanisms and environmental factors when accounting for consumer use of the product leading to disputable claims.

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Formation and sticking of air bubbles in water in d-block containers

Gupta et al. | Jun 21, 2021

Formation and sticking of air bubbles in water in d-block containers

Bubbles! In this study, the authors investigate the effects that different materials, temperature, and distance have on the formation of water bubbles on the surface of copper and steel. They calculated mathematical relations based on the outcomes to better understand whether interstitial hydrogen present in the d-block metals form hydrogen bonds with the water bubbles to account for the structural and mechanical stability.

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Evaluating the performance of Q-learning-based AI in auctions

Liu et al. | Nov 09, 2025

Evaluating the performance of Q-learning-based AI in auctions
Image credit: Liu and Liu

Advertising platforms like Google Ads use AI to drive the algorithms used to maximize advertisers benefits. This study shows that AI does not adjust it strategy based on auction type and highlights the limitations of AI running without explicit guidance.

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