In this study, the authors looked at a proto-oncogene, KRAS, and searched for molecules that are predicted to be able to bind to the inactive form of KRAS. They found that a modified version of Irbesartan, a derivative of benzimidazole, showed the best binding to inactive KRAS.
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Applying centrality analysis on a protein interaction network to predict colorectal cancer driver genes
In this article the authors created an interaction map of proteins involved in colorectal cancer to look for driver vs. non-driver genes. That is they wanted to see if they could determine what genes are more likely to drive the development and progression in colorectal cancer and which are present in altered states but not necessarily driving disease progression.
Read More...Temporal characterization of electroencephalogram slowing activity types
The authors use machine learning to analyze electroencephalogram data and identify slowing patterns that can indicate undetected disorders like epilepsy or dementia
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...The Role of a Mask - Understanding the Performance of Deep Neural Networks to Detect, Segment, and Extract Cellular Nuclei from Microscopy Images
Cell segmentation is the task of identifying cell nuclei instances in fluorescence microscopy images. The goal of this paper is to benchmark the performance of representative deep learning techniques for cell nuclei segmentation using standard datasets and common evaluation criteria. This research establishes an important baseline for cell nuclei segmentation, enabling researchers to continually refine and deploy neural models for real-world clinical applications.
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.
Read More...Deuterated solvent effects in the kinetics and thermodynamics of keto-enol tautomerization of ETFAA
In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.
Read More...Linear and non-linear summation of responses to visual and olfactory cues in male Drosophila melanogaster
In this study, the authors investigate whether phototaxis and odortaxis in Drosophila melanogaster occurs through linear summation of cues including light and attractive odorants.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...Do self-expression values affect global jazz popularity? An analysis of postmaterialism and political activity
Jazz music is a unique American art form that has spread around the world. Iyer and Iyer study this spread through a computational sociology project examining how jazz popularity is correlated with postmaterialism (an ideology that values self-expression) and political activity.
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