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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

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.

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Herbal formulation, HF1 diminishes tumorigenesis: a cytokine study between MCF-7 and BM-MSCs.

Guru et al. | Apr 11, 2022

Herbal formulation, HF1 diminishes tumorigenesis: a cytokine study between MCF-7 and BM-MSCs.

The authors use HF-1, an herbal formation, on bone marrow derived cells as well as breast cancer cells to assess HF-1's ability to prevent tumorigenesis. As metastasis requires coordination of multiple cells in the tumor microenvironment, their findings that HF-1 augments cytokine expression such as VEGF & TGF-B show that HF-1 has potential application to therapeutics.

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Estimation of cytokines in PHA-activated mononuclear cells isolated from human peripheral and cord blood

Subbiah et al. | Mar 09, 2022

Estimation of cytokines in PHA-activated mononuclear cells isolated from human peripheral and cord blood

In this study, the authors investigated the time-dependent cytokine secretion ability of phyto-hemagglutinin (PHA)-activated T cells derived from human peripheral (PB) and cord blood (CB). They hypothesized that the anti-inflammatory cytokine, IL-10, and pro-inflammatory cytokine, TNFα, levels would be higher in PHA-activated T cells obtained from PB as compared to the levels obtained from CB and would decrease over time. Upon PHA-activation, the IL-10 levels were relatively high while the TNFα levels decreased, making these findings applicable in therapeutic treatments e.g., rheumatoid arthritis, psoriasis, and organ transplantation.

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The Perks of Watching a Movie: How the Portrayal of Anxiety and Depression in Film Affects Teenagers’ Perception of Anxiety and Depressive Disorders

Wolcott et al. | Sep 11, 2021

The Perks of Watching a Movie: How the Portrayal of Anxiety and Depression in Film Affects Teenagers’ Perception of Anxiety and Depressive Disorders

In film, anxiety and depressive disorders are often depicted inaccurately. When viewers are exposed to these inaccurate portrayals, they collect misinformation about the disorders, as well as people who live with them, leading to stigma. This study used a mixed-method descriptive approach to analyze 16 teenagers’ attitudes towards people with anxiety and depression. Results found that while participants understood how these portrayals create stigma, they did not attribute this to misinformation. These results can be used to help both the film industry and the movie-going public better understand the effects of inaccurate storytelling and the extent to which it informs public perception

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The Role of a Mask - Understanding the Performance of Deep Neural Networks to Detect, Segment, and Extract Cellular Nuclei from Microscopy Images

Dasgupta et al. | Jul 06, 2021

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.

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Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Su et al. | May 14, 2021

Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Berberine, a natural product alkaloid, has been shown to exert biological activity via in situ production of singlet oxygen when photo irradiated. Berberine utilizes singlet oxygen in its putative mechanism of action, wherein it forms an activated complex with DNA and photosensitizes triplet oxygen to singlet oxygen to specifically oxidize guanine residues, thereby halting cell replication and leading to cell death. This has potential application in photodynamic therapy, alongside other such compounds which also act as photosensitizers and produce singlet oxygen in situ. The quantification of singlet oxygen in various photosensitizers, including berberine, is essential for determining their photosensitizer efficiencies. We postulated that the singlet oxygen produced by photoirradiation of berberine would be superior in terms of singlet oxygen production to the aforementioned photosensitizers when irradiated with UV light, but inferior under visible light conditions, due to its strong absorbance of UV wavelengths.

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Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen et al. | Dec 20, 2020

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

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Effects of Prolonged Azithromycin Therapy on Bacterial Resistance to Functionally Analogous Antibiotics

Gibbs et al. | Dec 04, 2020

Effects of Prolonged Azithromycin Therapy on Bacterial Resistance to Functionally Analogous Antibiotics

In this study, the authors investigate a potential case of cross antibiotic-resistance. Using swabs from an individual who received long-term treatments of azithromycin, they addressed the question of whether any bacteria in this individual might develop resistance to not only azithromycin, but also other antibiotics with similar structures. This study cleverly addresses the important issue of antibiotic resistance from a new and thoughtful approach.

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Statistically Analyzing the Effect of Various Factors on the Absorbency of Paper Towels

Tao et al. | Dec 04, 2020

Statistically Analyzing the Effect of Various Factors on the Absorbency of Paper Towels

In this study, the authors investigate just how effectively paper towels can absorb different types of liquid and whether changing the properties of the towel (such as folding it) affects absorbance. Using variables of either different liquid types or the folded state of the paper towels, they used thorough approaches to make some important and very useful conclusions about optimal ways to use paper towels. This has important implications as we as a society continue to use more and more paper towels.

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Fingerprint patterns through genetics

O'Brien et al. | Dec 02, 2020

Fingerprint patterns through genetics

This study explores the link between fingerprints and genetics by analyzing familial fingerprints to show how the fingerprints between family members, and in particular siblings, could be very similar. The hypothesis was that the fingerprints between siblings would be very similar and the dominant fingerprint features within the family would be the same throughout the generations. Fingerprints between the siblings showed a trend of similarity, with only very small differences which makes these fingerprints unique. This work helps to support the link between fingerprints and genetics while providing a modern technological application.

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