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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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Astragalus membranaceus Root Concentration and Exposure Time: Role in Heat Stress Diminution in C. elegans

Chen et al. | Oct 17, 2018

Astragalus membranaceus Root Concentration and Exposure Time: Role in Heat Stress Diminution in <em>C. elegans</em>

In this study, the authors investigated the biological mechanism underlying the actions of a traditional medicinal plant, Astragalus membranaceus. Using C. elegans as an experimental model, they tested the effects of AM root on heat stress responses. Their results suggest that AM root extract may enhance the activity of endogenous pathways that mediate cellular responses to heat stress.

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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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Fire and dry grass: Effects of Pennisetum villosum on a California native, Nassella pulchra, in drought times

Chang et al. | Jan 23, 2022

Fire and dry grass: Effects of <i>Pennisetum villosum</i> on a California native, <i>Nassella pulchra</i>, in drought times

Invasive species pose a significant threat to many ecosystems, whether by outcompeting native species and disturbing food webs, or through increasing risks of natural disasters like flooding and wildfires. The ornamental grass species Pennisetum villosum R. Br. was previously identified by the California Invasive Plant Council as being potentially invasive; this experiment was conducted to determine if P. villosum displays characteristics of an invasive species when grown in a California chaparral environment. Reults found that in both conditions, the two species had similar germination rates, and that P. villosum grew significantly larger than N. pulchra for around 95 days.

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Improving measurement of reducing sugar content in carbonated beverages using Fehling’s reagent

Zhang et al. | Jul 21, 2020

Improving measurement of reducing sugar content in carbonated beverages using Fehling’s reagent

The sugar-rich modern diet underlies a suite of metabolic disorders, most common of which is diabetes. Accurately reporting the sugar content of pre-packaged food and drink items can help consumers track their sugar intake better, facilitating more cognisant and, eventually, moderate consumption of high-sugar items. In this article, the authors examine the effect of several variables on the accuracy of Fehling's reaction, a colorimetric reaction used to estimate sugar content.

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Using data science along with machine learning to determine the ARIMA model’s ability to adjust to irregularities in the dataset

Choudhary et al. | Jul 26, 2021

Using data science along with machine learning to determine the ARIMA model’s ability to adjust to irregularities in the dataset

Auto-Regressive Integrated Moving Average (ARIMA) models are known for their influence and application on time series data. This statistical analysis model uses time series data to depict future trends or values: a key contributor to crime mapping algorithms. However, the models may not function to their true potential when analyzing data with many different patterns. In order to determine the potential of ARIMA models, our research will test the model on irregularities in the data. Our team hypothesizes that the ARIMA model will be able to adapt to the different irregularities in the data that do not correspond to a certain trend or pattern. Using crime theft data and an ARIMA model, we determined the results of the ARIMA model’s forecast and how the accuracy differed on different days with irregularities in crime.

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siRNA-dependent KCNMB2 silencing inhibits lung cancer cell proliferation and promotes cell death

Jeong et al. | Nov 01, 2022

siRNA-dependent KCNMB2 silencing inhibits lung cancer cell proliferation and promotes cell death

Here, seeking to better understand the genetic associations underlying non-small cell lung cancer, the authors screened hundreds of genes, identifying that KCNMB2 upregulation was significantly correlated with poor prognoses in lung cancer patients. Based on this, they used small interfering RNA to decrease the expression of KCNMB2 in A549 lung cancer cells, finding decreased cell proliferation and increased lung cancer cell death. They suggest this could lead to a new potential target for lung cancer therapies.

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