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Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

In order to determine whether unmarked soybeans in the market were genetically modified crops, the authors developed a polymerase chain reaction (PCR) screen for DNA lectin.

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.

Depression affects millions globally, yet identifying symptoms remains challenging. This study explored detecting depression-related patterns in social media texts using natural language processing and machine learning algorithms, including decision trees and random forests. Our findings suggest that analyzing online text activity can serve as a viable method for screening mental disorders, potentially improving diagnosis accuracy by incorporating both physical and psychological indicators.

With increased screen time and exposure to blue light, an increasing number of people have sleep deprivation. Blue light suppresses the release of melatonin and hinders sleep at night. We hypothesized that people could get a greater amount of sleep by controlling the blue light exposure from screen time before bedtime. BBG’s effect on reducing time to fall asleep was significant within the teenage group, but not significant in the adult group. This indicated that BBG could improve the time taken to sleep for young teenagers post screen time in the evening.

Molecules which bind to proteins that aggregate abnormally in neurodegenerative diseases could be promising drugs for these diseases. In this study, Zhang, Wu, Zhang, and Dang simulate the binding behavior of various molecules to screen for candidates which could be promising candidates for drug development.

With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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.

Recent declines in the brook trout population of the Lake Champlain Basin have made the genetic screening of this and other trout species of utmost importance. In this study, the authors collected and analyzed 21 DNA samples from Lake Champlain Basin trout populations and performed a phylogenetic analysis on these samples using the cytochrome b gene. The findings presented in this study may influence future habitat decisions in this region.