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Developing anticholinergic drugs for the treatment of asthma with improved efficacy

Wong et al. | Jul 05, 2023

Developing anticholinergic drugs for the treatment of asthma with improved efficacy
Image credit: Wong et al.

Anticholinergics are used in treating asthma, a chronic inflammation of the airways. These drugs block human M1 and M2 muscarinic acetylcholine receptors, inhibiting bronchoconstriction. However, studies have reported complications of anticholinergic usage, such as exacerbated eosinophil production and worsened urinary retention. Modification of known anticholinergics using bioisosteric replacements to increase efficacy could potentially minimize these complications. The present study focuses on identifying viable analogs of anticholinergics to improve binding energy to the receptors compared to current treatment options. Glycopyrrolate (G), ipratropium (IB), and tiotropium bromide (TB) were chosen as parent drugs of interest, due to the presence of common functional groups within the molecules, specifically esters and alcohols. Docking score analysis via AutoDock Vina was used to evaluate the binding energy between drug analogs and the muscarinic acetylcholine receptors. The final results suggest that G-A3, IB-A3, and TB-A1 are the most viable analogs, as binding energy was improved when compared to the parent drug. G-A4, IB-A4, IB-A5, TB-A3, and TB-A4 are also potential candidates, although there were slight regressions in binding energy to both muscarinic receptors for these analogs. By researching the effects of bioisosteric replacements of current anticholinergics, it is evident that there is a potential to provide asthmatics with more effective treatment options.

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Testing the Effects of Resveratrol, Apigenin, and Glucosamine to Effectively Reduce Prostate Cancer Cell Proliferation, Migration Levels, and Increase Apoptosis

Yang et al. | Apr 16, 2020

Testing the Effects of Resveratrol, Apigenin, and Glucosamine to Effectively Reduce Prostate Cancer Cell Proliferation, Migration Levels, and Increase Apoptosis

The current five-year survival rate of metastasized prostate cancer is only 30% and occurs in every one in nine men. Researchers have shown that people with a type of dwarfism called Laron’s Syndrome are immune to cancer due to their low levels of insulin-like growth factor-1 (IGF-1). For this reason, experimentally modifying the level of IGF-1 could provide better insight into whether lowering the levels of IGF-1 in prostate cancer cell lines (e.g. PC-3) could be an effective treatment to reduce their rates of proliferation and migration and increase apoptosis. We selected three compounds, which researchers have shown decrease IGF-1 levels, to test and combine to determine which is the most promising.

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Analysis of Patterns in the Harmonics of a String with Artificially Enforced Nodes

Jain et al. | Jan 28, 2021

Analysis of Patterns in the Harmonics of a String with Artificially Enforced Nodes

This study examines the higher harmonics in an oscillating string by analyzing the sound produced by a guitar with a spectrum analyzer. The authors mathematically hypothesized that the higher harmonics in the series of the directly excited 2nd harmonic contain the alternate frequencies of the fundamental series, the higher harmonics of the directly excited 3rd harmonic series contain every third frequency of fundamental series, and so on. To test the hypotheses, they enforced artificial nodes to excite the 2nd, 3rd, and 4th harmonics directly, and analyzed the resulting spectrum to verify the mathematical hypothesis. The data analysis corroborates both hypotheses.

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An Analysis of the Density and Patterns of the Solutions of Diophantine Equations of the Third Power

Grewal et al. | Oct 05, 2020

An Analysis of the Density and Patterns of the Solutions of Diophantine Equations of the Third Power

In this study, the authors sought to find out how many mathematical solutions there were to the Indian mathematician Ramanujan's formula, which is a3 + b3 + c3 = d3, and also quantify the densities its solutions. They wrote their own computer program to do so and kept values of a, b, and c less than 10,000. While conducting the analysis, they were also looking for perfect power taxicab numbers and their frequency. They were able to find solutions and densities for the equation. Additionally, while they found that most perfect cube taxicab numbers had a frequency of 2 or 3, they also found on number with a frequency of 42!

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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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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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