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Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Luk et al. | Jan 24, 2022

Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

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The analysis of the viral transmission and structural interactions between the HIV-1 envelope glycoprotein and the lymphocyte receptor integrin α4β7

Ganesh et al. | Apr 28, 2021

The analysis of the viral transmission and structural interactions between the HIV-1 envelope glycoprotein and the lymphocyte receptor integrin α4β7

The Human Immunodeficiency Virus (HIV) infects approximately 40 million people globally, and one million people die every year from Acquired Immune Deficiency Syndrome (AIDS)-related illnesses. This study examined the interactions between the HIV-1 envelope glycoprotein gp120 and the human lymphocyte receptor integrin α4β7, the putative first long-range receptor for the envelope glycoprotein of the virus in mucosal tissues. Presented data support the claim that the V1 loop is involved in the binding between α4β7 and the HIV-1 envelope glycoprotein through molecular dockings.

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Investigating the Role of the Novel ESCRT-III Recruitment Factor CCDC11 in HIV Budding: A Potential Target for Antiviral Therapy

Takemaru et al. | Feb 24, 2020

Investigating the Role of the Novel ESCRT-III Recruitment Factor CCDC11 in HIV Budding: A Potential Target for Antiviral Therapy

Acquired immunodeficiency syndrome (AIDS) is a life-threatening condition caused by the human immunodeficiency virus (HIV). In this work, Takemaru et al explored the role of Coiled-Coil Domain-Containing 11 (CCDC11) in HIV-1 budding. Their results suggest that CCDC11 is critical for efficient HIV-1 budding, potentially indicating CCDC11 a viable target for antiviral therapeutics without major side effects.

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How has California’s Shelter-in-Place Order due to COVID-19 and the Resulting Reduction in Human Activity Affected Air and Water Quality?

Everitt et al. | Feb 15, 2021

How has California’s Shelter-in-Place Order due to COVID-19 and the Resulting Reduction in Human Activity Affected Air and Water Quality?

As the world struggled to grapple with the emerging COVID-19 pandemic in 2020, many countries instated policies to help minimize the spread of the virus among residents. This inadvertently led to a decrease in travel, and in some cases, industrial output, two major sources of pollutants in today's world. Here, the authors investigate whether California's shelter-in-place policy was associated with a measurable decrease in water and air pollution in that state between June and July of 2020, compared to the preceeding five years. Their findings suggest that, by some metrics, air quality improved within certain areas while water quality was relatively unchanged. Overall, these findings suggest that changing human behavior can, indeed, help reduce the level of air pollutants that compromise air quality.

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Use of yogurt bacteria as a model surrogate to compare household cleaning solutions

Shukla et al. | May 07, 2023

Use of yogurt bacteria as a model surrogate to compare household cleaning solutions
Image credit: CDC

While resources on the safety of household cleaning products are plentiful, measures of efficacy of these cleaning chemicals against bacteria and viruses remain without standardization in the consumer market. The COVID pandemic has exasperated this knowledge gap, stoking the growth of misinformation and misuse surrounding household cleaning chemicals. Arriving at a time dire for sanitization standardization, the authors of this paper have created a quantifying framework for consumers by comparing a wide range of household cleaning products in their efficacy against bacteria generated by a safe and easily replicable yogurt model.

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Machine learning on crowd-sourced data to highlight coral disease

Narayan et al. | Jul 26, 2021

Machine learning on crowd-sourced data to highlight coral disease

Triggered largely by the warming and pollution of oceans, corals are experiencing bleaching and a variety of diseases caused by the spread of bacteria, fungi, and viruses. Identification of bleached/diseased corals enables implementation of measures to halt or retard disease. Benthic cover analysis, a standard metric used in large databases to assess live coral cover, as a standalone measure of reef health is insufficient for identification of coral bleaching/disease. Proposed herein is a solution that couples machine learning with crowd-sourced data – images from government archives, citizen science projects, and personal images collected by tourists – to build a model capable of identifying healthy, bleached, and/or diseased coral.

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Comparing Virulence of Three T4 Bacteriophage Strains on Ampicillin-Resistant and Sensitive E. coli Bacteria

Hudanich et al. | Dec 09, 2020

Comparing Virulence of Three T4 Bacteriophage Strains on Ampicillin-Resistant and Sensitive <em>E. coli</em> Bacteria

In this study, the authors investigate an alternative way to kill bacteria other than the use of antibiotics, which is useful when considering antibiotic-resistance bacteria. They use bacteriophages, which are are viruses that can infect bacteria, and measure cell lysis. They make some important findings that these bacteriophage can lyse both antibiotic-resistant and non-resistant bacteria.

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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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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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