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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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Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts

Sehgal et al. | Dec 04, 2017

Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts

The use of salt to melt ice is a common and important practice to keep roadways safe during winter months. However, various subtypes of salt differ in their chemical and physical properties, as well as their environmental impact. In this study, the authors measure the effectiveness of different salts at disrupting ice structures and identify calcium chloride as the most effective.

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Banana-based Biofuels for Combating Climate Change: How the Composition of Enzyme Catalyzed Solutions Affects Biofuel Yield

Klein-Hessling Barrientos et al. | May 27, 2020

Banana-based Biofuels for Combating Climate Change: How the Composition of Enzyme Catalyzed Solutions Affects Biofuel Yield

The authors investigate whether amylase or yeast had a more prominent role in determining the bioethanol concentration and bioethanol yield of banana samples. They hypothesized that amylase would have the most significant impact on the bioethanol yield and concentration of the samples. They found that while yeast is an essential component for producing bioethanol, the proportion of amylase supplied through a joint amylase-yeast mixture has a more significant impact on the bioethanol yield. This study provides a greater understanding of the mechanisms and implications involved in enzyme-based biofuel production, specifically of those pertaining to amylase and yeast.

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Dune flora can emerge from seed islands (Concon, Chile)

Farías Giusti-Bilz et al. | Dec 07, 2020

Dune flora can emerge from seed islands (Concon, Chile)

In the field of ecology, little is known about how plant communities originate. Through the process of characterizing dunes, mounds of sand formed by the wind, and their plant communities we can get to know the physiognomy and floristic composition of the territory. Based on the hypothesis that dune flora can emerge from seed islands: holes in the sand 6 cm deep containing a mixture of seeds, broken branches of shrubbery, and rabbit feces, during spring, the authors determined the composition of 20 seed islands in the sand dunes of Concon, Chile and measured how many seeds germinated in each one.

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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

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An analysis of the distribution of microplastics along the South Shore of Long Island, NY

Sanderson et al. | Sep 21, 2020

An analysis of the distribution of microplastics along the South Shore of Long Island, NY

This study is focused on the distribution of microplastics in Long Island, NY. Microplastics are plastic particles that measure less than 5 mm in length and pose an environmental risk due to their size, composition, and ubiquitous location in the marine environment. Focusing on the South Shore of Long Island, the authors investigated the locations and concentrations of microplastics at four locations along the shore line. While they did not find significant differences in the number of microplastics per location, there were microplastics at all four locations. This finding is important to drive future research and environmental policy as well.

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More Efficient Helicopter Blades Based on Whale Tubercles

Weitzman et al. | Dec 22, 2013

More Efficient Helicopter Blades Based on Whale Tubercles

Biomimicry is the practice of applying models and systems found in nature to improve the efficiency and usefulness of human technologies. In this study, the authors designed helicopter blades with tubercle structures similar to those found on the tails of humpback whales. The authors found that certain arrangements of these tubercle structures improved the windspeed and efficiency of a model helicopter.

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A comparative study on the suitability of virtual labs for school chemistry experiments

Praveen et al. | Aug 22, 2022

A comparative study on the suitability of virtual labs for school chemistry experiments

Virtual labs have been gaining popularity over the last few years, especially during the worldwide lockdown due to the COVID-19 pandemic. In this study, the suitability of virtual labs for school chemistry experiments is addressed and their effectiveness is compared to traditional physical lab experiments by focusing on physical and human resources, convenience, cost, safety, and time involved as well as topic "matter".

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How Ya Doin'? with COVID-19

Kung et al. | Dec 02, 2021

How Ya Doin'? with COVID-19

In this study, the authors survey students and adults about how the COVID-19 pandemic has impacted their sleep patterns, eating habits, mood, physical activity, and screen time.

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Comparing the Biodegradability of Petroleum-based Plastic with a Novel, Sustainable Bio-plastic Alternative

Van Note et al. | Dec 02, 2020

Comparing the Biodegradability of Petroleum-based Plastic with a Novel, Sustainable Bio-plastic Alternative

In this research, a novel bioplastic inclusive of bamboo tannins and chitosan is selected from more than 60 trial formula variations based on resulting strength, fatigue, and transparency attributes. The biodegradability of the finalized bioplastic is compared to that of conventional polyethylene, in addition to investigating its solubility and water absorbance. This research displays the potential of a legitimate, fully biodegradable plastic alternative to current marketplace bioplastics.

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