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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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What is the optimal fuel for space flight? Efficiency, cost, and environmental impact

Kapitonova et al. | Dec 28, 2023

What is the optimal fuel for space flight? Efficiency, cost, and environmental impact
Image credit: NASA

Here, the authors sought to investigate the efficiency, cost, and environmental impact of several possible propellants that are or could be used for space flight. By deriving three novel equations, they identified harm, energy, and cost scores for each fuel, suggesting that considering each factor will be essential to the ongoing growth of the space industry.

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Efficacy of Rotten and Fresh Fruit Extracts as the Photosensitive Dye for Dye-Sensitized Solar Cells

Jayasankar et al. | Jan 16, 2019

Efficacy of Rotten and Fresh Fruit Extracts as the Photosensitive Dye for Dye-Sensitized Solar Cells

Dye-sensitized solar cells (DSSC) use dye as the photoactive material, which capture the incoming photon of light and use the energy to excite electrons. Research in DSSCs has centered around improving the efficacy of photosensitive dyes. A fruit's color is defined by a unique set of molecules, known as a pigment profile, which changes as a fruit progresses from ripe to rotten. This project investigates the use of fresh and rotten fruit extracts as the photoactive dye in a DSSC.

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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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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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Leveraging E-Waste to Enhance Water Condensation by Effective Use of Solid-state Thermoelectric Cooling

Joshi et al. | Dec 02, 2020

Leveraging E-Waste to Enhance Water Condensation by Effective Use of Solid-state Thermoelectric Cooling

Water scarcity affects upwards of a billion people worldwide today. This project leverages the potential of capturing humidity to build a high-efficiency water condensation device that can generate water and be used for personal and commercial purposes. This compact environment-friendly device would have low power requirements, which would potentially allow it to utilize renewable energy sources and collect water at the most needed location.

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