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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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Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.

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Utilizing a Wastewater-Based Medium for Engineered Saccharomyces cerevisiae for the Biological Production of Fatty Alcohols and Carboxylic Acids to Replace Petrochemicals

Ramesh et al. | Oct 02, 2019

Utilizing a Wastewater-Based Medium for Engineered <em>Saccharomyces cerevisiae</em> for the Biological Production of Fatty Alcohols and Carboxylic Acids to Replace Petrochemicals

Saccharomyces cerevisiae yeast is used to produce bioethanol, an alternative to fossil fuels. In this study, authors take advantage of this well studied yeast by genetically engineering them to increase fatty acid biosynthesis and culturing in a cost-effective wastewater based medium; potentially providing a sustainable alternative to petrochemicals.

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Differentiation of Waste Plastic Pyrolysis Fuels to Conventional Diesel Fuel

Jewison et al. | May 25, 2018

Differentiation of Waste Plastic Pyrolysis Fuels to Conventional Diesel Fuel

Plastic pollution and energy shortages are pressing issues in today’s world. The authors examined whether waste plastic pyrolysis fuels are similar to conventional diesel and, thus, a plausible alternative fuel. Results showed that waste plastic pyrolysis fuels did not match up to diesel overall, though several fuels came close in calorific value.

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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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Comparative Gamma Radiation Analysis by Geographic Region

Zadan et al. | Jul 20, 2015

Comparative Gamma Radiation Analysis by Geographic Region

Gamma radiation can be produced by both natural and man-made sources and abnormally high exposure levels could lead to an increase in cell damage. In this study, gamma radiation was measured at different locations and any correlation with various geographic factors, such as distance from a city center, elevation and proximity to the nearest nuclear reactor, was determined.

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Impact of light intensity and electrolyte volume on performance of photo-electrochemical (PEC) solar cell

Patel et al. | Mar 14, 2022

Impact of light intensity and electrolyte volume on performance of photo-electrochemical (PEC) solar cell

Here, seeking to develop more efficient solar cells, the authors investigated photo-electrochemical (PEC) solar cells, specifically molybdenum diselenide (MoSe2) based on its high resistance to corrosion. They found that the percentage efficiency of these PEC solar cells was proportional to light intensity–0.9 and that performance was positively influenced by increasing the electrolyte volume. They suggest that studies such as these can lead to new insight into reaction-based solar cells.

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Identification of microwave-related changes in tissue using an ultrasound scan

Shariff et al. | Apr 24, 2024

Identification of microwave-related changes in tissue using an ultrasound scan
Image credit: Shariff and Shariff 2024

Microwave energy (ME) is used in the medical field to denature protein structures, resulting in inactivation or destruction of abnormal cells. Identifying the extent of destruction of abnormal tissue (cancer tissue or tissue with abnormal electrical activity) is essential for accomplishing successful therapy and reducing collateral damage. Our study was an ex vivo assessment of the changes on ultrasound scans (US) in chicken tissue exposed to ME. We hypothesized that any changes in tissue structures would be recognized on the reflected ultrasound waves. Ultrasound scans of tissues change with exposure to microwaves with increasing reflection of ultrasound waves. With exposure to microwaves, surface level brightness on the ultrasound scans increases statistically significantly. The findings could be used in heat related (ME and radiofrequency) procedures where clinicians would be able to actively assess lesions in real-time. Further studies are required to assess changes in tissue during active exposure to different types of energies.

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The Parent-Child Relationship During the College Planning Process

Vanden et al. | Sep 19, 2019

The Parent-Child Relationship During the College Planning Process

To explore the parent-child relationship during college planning, authors surveyed high school juniors from two private schools (boarding school vs. non-boarding parochial school). After coding, survey answers indicate students at boarding schools were found to have greater fear of parental control and disappointment, while students at non-boarding parochial schoolexpressed a greater need for parental assistance.

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