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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

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Ribosome distribution affects stalling in amino-acid starved cancer cells

Deng et al. | Jan 07, 2022

Ribosome distribution affects stalling in amino-acid starved cancer cells

In this article, the authors analyzed ribosome profiling data from amino acid-starved pancreatic cancer cells to explore whether the pattern of ribosome distribution along transcripts under normal conditions can predict the degree of ribosome stalling under stress. The authors found that ribosomes in amino acid-deprived cells stalled more along elongation-limited transcripts. By contrast, they observed no relationship between read density near start and stop and disparities between mRNA sequencing reads and ribosome profiling reads. This research identifies an important relationship between read distribution and propensity for ribosomes to stall, although more work is needed to fully understand the patterns of ribosome distribution along transcripts in ribosome profiling data.

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Effect of pH on the antibacterial properties of turmeric

Ganga et al. | Aug 31, 2023

Effect of pH on the antibacterial properties of turmeric

Some spices have antimicrobial or antibacterial properties that people have already tested. Turmeric has a wide variety of uses and has even been implemented in alternative medicine as a treatment for cancer, inflammation, osteoarthritis, and other diseases. We tested the antimicrobial effects of turmeric under two different pHs to characterize this effect in vitro. Decreasing the pH of a solution of turmeric may increase antibacterial properties.

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Characterizing Quorum Sensing-Induced Bioluminescence in Variable Volumes With Vibrio fischeri Using Computer Processing Methods

Abdel-Azim et al. | Jun 22, 2020

Characterizing Quorum Sensing-Induced Bioluminescence in Variable Volumes With <em>Vibrio fischeri</em> Using Computer Processing Methods

Understanding how bacteria respond to other bacteria could facilitate their ability to initiate and maintain their infectiousness. The phenomenon by which bacteria signal to each other via chemical signals is called quorum sensing, which could be targeted to deter bacterial infection in some cases if better understood. In this article, the authors study how a bacterium called V. fischeri uses quorum sensing to change bioluminescence, an easy readout that facilitates studying quorum sensing in this strain.

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The Effects of Altered Microbiome on Caenorhabditis elegans Egg Laying Behavior

Gohari et al. | Aug 12, 2019

The Effects of Altered Microbiome on <em>Caenorhabditis elegans</em> Egg Laying Behavior

Since the discovery that thousands of different bacteria colonize our gut, many of which are important for human wellbeing, understanding the significance of balancing the different species on the human body has been intensely researched. Untangling the complexity of the gut microbiome and establishing the effect of the various strains on human health is a challenge in many circumstances, and the need for simpler systems to improve our basic understanding of microbe-host interactions seems necessary. C. elegans are a well-established laboratory animal that feed on bacteria and can thus serve as a less complex system for studying microbe-host interactions. Here the authors investigate how the choice of bacterial diet affects worm fertility. The same approach could be applied to many different outcomes, and facilitate our understanding of how the microbes colonizing our guts affect various bodily functions.

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Effect of Collagen Gel Structure on Fibroblast Phenotype

Grace et al. | Nov 28, 2012

Effect of Collagen Gel Structure on Fibroblast Phenotype

Environment affects the progression of life, especially at the cellular level. This study investigates multiple 3-dimensional growth environments, also known as scaffolds or hydrogels, and their effect on the growth of a type of cells called fibroblasts. These results suggest that a scaffold made of collagen and polyethylene glycol are favorable for cell growth. This research is useful for developing implantable devices to aid wound healing.

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Effect of Gram-positive bacteria on antibiotic resistance in Gram-negative bacteria

Willem et al. | Mar 12, 2024

Effect of Gram-positive bacteria on antibiotic resistance in Gram-negative bacteria

Antibiotics are one of the most common treatments for bacterial infections, but the emergence of antibiotic resistance is a major threat to the control of infectious diseases. Many factors contribute to the development of antibiotic resistance. One is bacterial conjugation from Gram-positive to Gram-negative bacteria where there is a transfer of resistance genes from Gram-positive to Gram-negative bacteria that could increase antibiotic resistance in the latter. In light of these observations, we decided to test whether Gram-negative bacteria that came into contact with Gram-positive bacteria had a higher resistance to the antimicrobial properties of spices than Gram-negative bacteria that did not come into contact with Gram-positive bacteria.

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Modulation of VEGF and TGF beta in 5-FU induced inflammation in MCF-7 using an herbal formulation

Vinay Nair et al. | Jun 03, 2022

Modulation of VEGF and TGF beta in 5-FU induced inflammation in MCF-7 using an herbal formulation

Acquired drug resistance is an increasing challenge in treating cancer with chemotherapy. One mechanism
behind this resistance is the increased inflammation that supports the progression and development of
cancer that arises because of the drug’s presence. Integrative oncology is the field that focuses on including natural products alongside traditional therapy to create a treatment that focuses on holistic patient well-being.
In this study, the authors demonstrate that the use of an herbal formulation, consisting of turmeric and green tea, alongside a traditional chemotherapeutic drug, 5-fluorouracil (FU) significantly decreases the level of cytokines produced in breast cancer cells when compared to the levels produced when exposed solely to the chemo drug. The authors conclude that this combination of treatment, based on the principle of integrative oncology, shows potential for reducing the resistance against treatment conferred through increased inflammation. Consequently, this suggests a prospective way forward in improving the efficacy of cancer treatment.

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Decolorization of textile dyes by edible white rot fungi

Lin et al. | Apr 29, 2022

Decolorization of textile dyes by edible white rot fungi

As fast fashion explodes in popularity, the fashion industry remains one of the most prominent industries responsible for pollution. This pollution includes a lack of treatment for textile dyes that remain toxic or carcinogenic as they persist in wastewater. To resolve this, the authors of this study set out to determine the efficacy of using edible white rot fungi for cell-based biodegradation of textile dyes into harmless chemicals. This method takes advantage of fungi found in excess from the fungi industry, decreasing food waste while addressing textile waste in tandem.

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