Browse Articles

Intra and interspecies control of bacterial growth through extracellular extracts

Howe et al. | Jun 07, 2024

Intra and interspecies control of bacterial growth through extracellular extracts

The study discusses the relationship between bacterial species and the human gut microbiome, emphasizing the role of quorum sensing molecules in bacterial communication and its implications for health. Authors investigated the impact of bacterial supernatants from Escherichia coli (E. coli) on the growth of new E. coli and Enterobacter aerogenes (E. aerogenes) cultures.

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Groundwater prediction using artificial intelligence: Case study for Texas aquifers

Sharma et al. | Apr 19, 2024

Groundwater prediction using artificial intelligence: Case study for Texas aquifers

Here, in an effort to develop a model to predict future groundwater levels, the authors tested a tree-based automated artificial intelligence (AI) model against other methods. Through their analysis they found that groundwater levels in Texas aquifers are down significantly, and found that tree-based AI models most accurately predicted future levels.

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Genetic underpinnings of the sex bias in autism spectrum disorder

Lee et al. | Mar 29, 2024

Genetic underpinnings of the sex bias in autism spectrum disorder
Image credit: Louis Reed

Here, seeking to identify a possible explanation for the more frequent diagnosis of autism spectrum disorder (ASD) in males than females, they sought to investigate a potential sex bias in the expression of ASD-associated genes. Based on their analysis, they identified 17 ASD-associated candidate genes that showed stronger collective sex-dependent expression.

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Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Zhou et al. | Nov 17, 2022

Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Here, based on the identification of androgapholide as a potential therapeutic treatment against cancer, Alzheimer's disease, diabetes, and multiple sclerosis, due to its ability to inhibit a signaling pathway in immune system function, the authors sought ways to optimize the natural product human systems by manipulating its chemical structure. Through the semisynthesis of a natural product along with computational studies, the authors developed an understanding of the kinetic mechanisms of andrographolide and semisynthetic analogs in the context of Michael additions.

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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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