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Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

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.

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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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Racial disparities in school discipline in Collier County, Florida

Khan et al. | Jun 21, 2024

Racial disparities in school discipline in Collier County, Florida
Image credit: Ivan Aleksic

Here, the authorized analyzed data from the Florida Department of Education Office of Safe Schools regarding disciplinary outcomes in Collier County public schools. They reported that Black Students were more likely to receive both in-school and out-of-school suspensions than White students, which they concluded suggests racial inequities in school discipline that requires addressing as a society.

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Racial and gender disparities in the portrayal of lawyers and physicians on television

Asadi et al. | Nov 18, 2022

Racial and gender disparities in the portrayal of lawyers and physicians on television

Powered by the sociological framework that exposure to television bleeds into social biases, limiting media representation of women and minority groups may lead to real-world implications and manifestations of racial and gender disparities. To address this phenomenon, the researchers in this article take a look at primetime fictional representation of minorities and women as lawyers and physicians and compare television representation to census data of the same groups within real-world legal and medical occupations. The authors maintain the hypothesis that representation of female and minority groups as television lawyers and doctors is lower than that of their white male counterparts relative to population demographics - a trend that they expect to also be reflected in actual practice. With fictional racial and gender inequalities and corresponding real-world trends highlighted within this article, the researchers call for address towards representation biases that reinforce each other in both fictional and non-fictional spheres.

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