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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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Quantifying right atrial dilation relative to atrial septal defect size using an experimental model

Lee et al. | Dec 06, 2025

Quantifying right atrial dilation relative to atrial septal defect size using an experimental model
Image credit: jesse orrico

To address the limitations in predicting the severity of Atrial Septal Defect (ASD), here the authors utilized a fluid-filled chamber model to quantify the relationship between defect size and right atrial fluid output. The findings confirmed that larger ASD diameters result in a linear increase in fluid output, validating a cost-effective model that can improve clinical prognosis and treatment planning for heart failure risks.

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