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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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Estimation of Reproduction Number of Influenza in Greece using SIR Model

Skarpeti et al. | Nov 18, 2020

Estimation of Reproduction Number of Influenza in Greece using SIR Model

In this study, we developed an algorithm to estimate the contact rate and the average infectious period of influenza using a Susceptible, Infected, and Recovered (SIR) epidemic model. The parameters in this model were estimated using data on infected Greek individuals collected from the National Public Health Organization. Our model labeled influenza as an epidemic with a basic reproduction value greater than one.

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Determining degree of dissociation through conductivity

Dunn et al. | Jan 26, 2024

Determining degree of dissociation through conductivity

The authors looked at how molarity impacts the degree to which ionic compounds dissociate in solution. They found that lower molarities led to decreased conductivity of solutions in a manner that did not follow the theoretical predictions.

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Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Mandava et al. | Dec 16, 2023

Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Thymoquinone is a compound of great therapeutic potential and scientific interest. However, its clinical administration and synthetic modifications are greatly limited by its instability in the presence of light. This study employed quantitative 1H nuclear magnetic resonance (NMR) spectroscopy to identify the effect of solvation on the degradation of thymoquinone under ultraviolet light (UV). It found that the rate of degradation is highly solvent dependent occurs maximally in chloroform.

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Developing novel plant waste-based hydrogels for skin regeneration and infection detection in diabetic wounds

Mathew et al. | Aug 10, 2023

Developing novel plant waste-based hydrogels for skin regeneration and infection detection in diabetic wounds

The purpose of this investigation is to develop a hydrogel to aid skin regeneration by creating an extracellular matrix for fibroblast growth with antibacterial and infection-detection properties. Authors developed two natural hydrogels based on pectin and potato peels and characterized the gels for fibroblast compatibility through rheology, scanning electron microscopy, swelling, degradation, and cell cytotoxicity assays. Overall, this experiment fabricated various hydrogels capable of acting as skin substitutes and counteracting infections to facilitate wound healing. Following further testing and validation, these hydrogels could help alleviate the 13-billion-dollar financial burden of foot ulcer treatment.

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Examination of the underlying chemical physics of the Mpemba effect in water and other liquids

Khan et al. | Apr 20, 2023

Examination of the underlying chemical physics of the Mpemba effect in water and other liquids
Image credit: D koi

Counterintuitive in nature, the Mpemba effect asserts that hot liquid freezes faster than cold liquid. While noted throughout history by scientific minds like Aristotle, the phenomenon remains in contention with varying hypotheses for the effect proposed alongside the effect’s rise in popularity. Contributing to the research efforts surrounding the Mpemba effect, the authors in this article explore the effect in different liquids ranging in physical properties and intermolecular forces to determine potential parameters attributable to producing the Mpemba effect.

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