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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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Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

Surapaneni et al. | Aug 06, 2020

Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

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A Study on the Coagulating Properties of the M. oleifera Seed

Lakshmanan et al. | Feb 14, 2020

A Study on the Coagulating Properties of the <em>M. oleifera</em> Seed

In this study, the authors investigate whether Moringa Oleifera seeds can serve as material to aid in purifying water. M. oleifera seeds have coagulating properties and the authors hypothesized that including it in a water filtration system would reduce particles, specifically bacteria, in water. Their results show that this system removed the largest percent of bacteria. When used in combination with cilantro, it was actually more efficient than the other techniques! These findings have important implications for creating better and more economical water purification systems.

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Using two-stage deep learning to assist the visually impaired with currency differentiation

Nachnani et al. | Jun 02, 2024

Using two-stage deep learning to assist the visually impaired with currency differentiation
Image credit: Omer Shahzad

Here, recognizing the difficulty that visually impaired people may have differentiating United States currency, the authors sought to use artificial intelligence (AI) models to identify US currencies. With a one-stage AI they reported a test accuracy of 89%, finding that multi-level deep learning models did not provide any significant advantage over a single-level AI.

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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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Country-level relationship of OTC medicine consumption and frequency of GP consultation

Hirai et al. | Dec 09, 2024

Country-level relationship of OTC medicine consumption and frequency of GP consultation

The discussion surrounding self-medication with non-prescription medicines has gained significance in healthcare and public health, particularly given the global increase in consumption of non-prescription drugs. This study aimed to examine the association between the frequency of general practitioner (GP) consultations and the proportion of economic resources spent on OTC medicine.

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