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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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An analysis of junior rower performance and how it is affected by rower's features

Biller et al. | Jan 07, 2022

An analysis of junior rower performance and how it is affected by rower's features

In this study, with consideration for the increasing participation of high school students in indoor rowing, the authors analyzed World Indoor Rowing Championship data. Statistical analysis revealed two key features that can determine the performance of a rower as well as increasing competitiveness in nearly all categories considered. They conclude by offering a 2000-meter ergometer time distribution that can help junior rowers assess their current performance relative to the world competition.

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A novel encoding technique to improve non-weather-based models for solar photovoltaic forecasting

Ahmed et al. | Jun 09, 2023

A novel encoding technique to improve non-weather-based models for solar photovoltaic forecasting

Several studies have applied different machine learning (ML) techniques to the area of forecasting solar photovoltaic power production. Most of these studies use weather data as inputs to predict power production; however, there are numerous practical issues with the procurement of this data. This study proposes models that do not use weather data as inputs, but rather use past power production data as a more practical substitute to weather-based models. Our proposed models demonstrate a better, cheaper, and more reliable alternatives to current weather models.

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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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The Development of a Highly Sensitive Home Diagnosis Kit for Group A Streptococcus Bacteria (GAS)

Mai et al. | Dec 05, 2018

The Development of a Highly Sensitive Home Diagnosis Kit for Group A Streptococcus Bacteria (GAS)

In this article, Mai et al. have developed a do-it-yourself kit for the detection of Strep A bacterial infections. While Strep A infections require antibiotic administration, viral infections, which can present with similar symptoms, often resolve on their own. The problem with delayed antibiotic treatment is an increasing risk of complications. Currently an accurate diagnosis requires that patients make the trip to the hospital where sensitive tests can be performed. The method described here, bundled into a commercially available kit, could help speed up the identification of such bacterial infections. When presented with symptoms of a sore throat and fever, you could just buy the kit at your local pharmacy, perform the simple yet highly accurate and sensitive test, and know whether an urgent trip to the doctor's for an antibiotic prescription is necessary. How convenient!

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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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Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Luk et al. | Jan 24, 2022

Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

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Suppress that algae: Mitigating the effects of harmful algal blooms through preemptive detection & suppression

Natarajan et al. | Jul 17, 2023

Suppress that algae: Mitigating the effects of harmful algal blooms through preemptive detection & suppression
Image credit: Sharanya Natarajan

A bottleneck in deleting algal blooms is that current data section is manual and is reactionary to an existing algal bloom. These authors made a custom-designed Seek and Destroy Algal Mitigation System (SDAMS) that detects harmful algal blooms at earlier time points with astonishing accuracy, and can instantaneously suppress the pre-bloom algal population.

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