In this study, the authors conduct a survey to evaluate the impact of household socioeconomic status on effectiveness of distance learning for students.
Read More...Influence of socioeconomic status on academic performance in virtual classroom settings
In this study, the authors conduct a survey to evaluate the impact of household socioeconomic status on effectiveness of distance learning for students.
Read More...The effect of the pandemic on the behavior of junior high school students
Here, seeking to understand how the COVID-19 pandemic affected the social interactions of junior high school students, the authors surveyed students, teachers, and parents. Contrary to their initial hypotheses, the authors found positive correlation between increased virtual contact during social isolation and in-person conflict and disregard for social norms after the pandemic. While the authors identified the limitations of their study, they suggest that further research into the effect of online interactions is becoming increasingly important.
Read More...Design and in silico screening of analogs of rilpivirine as novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) for antiretroviral therapy
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.
Read More...Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors
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.
Read More...Computational evidence for differential endocrine disruption by DEHP and PET via estrogen receptor beta binding
The authors demonstrate computationally that two types of nanoplastics can bind to estrogen receptor beta and potentially disrupt endocrine systems.
Read More...Human comprehension of 4-dimensional rotation
The authors looked at the ability subjects to rotation a 4D cube and how the ability to practice cube rotation impact their ability to understand 4D space.
Read More...Computational analysis and drug repositioning: Targeting the TDP-43 RRM using FDA-approved drugs
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.
Read More...Effects of different synthetic training data on real test data for semantic segmentation
Semantic segmentation - labelling each pixel in an image to a specific class- models require large amounts of manually labeled and collected data to train.
Read More...Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics
In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.
Read More...Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence
Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.
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