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.

Using the European Space Agency’s Gaia dataset, the authors analyzed the relationship between white dwarfs’ magnitudes and proper motions. They hypothesized that older white dwarf stars may have different velocities than younger ones, possibly that stars slow down as they age. They found that the white dwarfs in the dataset were substantially redder and higher magnitude (traits traditionally associated with older stars) as compared to their non-fast counterparts.

In this study the authors looked at the extract of Stephania tetrandra and its impact on symptoms related to obsessive compulsive disorder in fruit flies.

The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program

Semantic segmentation - labelling each pixel in an image to a specific class- models require large amounts of manually labeled and collected data to train.

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These authors mathematically deduce a model that explains the interesting (and unintuitive) physical phenomenon that occurs when water falls.

The authors seek to accelerate wound healing by reducing inflammation with a cocktail containing growth factors and bioactive modulators.

The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.