The authors looked at the potential of different phenolic compounds to reduce oxidative stress (i.e., act as antioxidants).
Read More...The effect of natural phenolic compounds on reducing oxidative stress
The authors looked at the potential of different phenolic compounds to reduce oxidative stress (i.e., act as antioxidants).
Read More...De novo design of a dual-target inhibitor against tau phosphorylation and acetylation for Alzheimer's therapy
The authors use computational methods to compare tau acetylation to the better studied tau phosphorylation in Alzheimer's disease and then design and computationally test a new drug to prevent abnormal post-translational modifications of tau.
Read More...Innovative use of recycled textile fibers in building materials: A circular economy approach
Textile waste from the fashion industry is a major environmental pollutant, but recycling waste into novel building material is a strategy to reduce the negative effects. This manuscript characterized five different binders that can be used to repurpose textile waste into bricks for construction purposes. Water-based glue, cement, white cement, plaster of Paris, and epoxy resin were mixed with shredded textile waste, and the mechanical characteristics and thermal insulation of each brick type were measured. Bricks with increased mechanical strength had the poorest thermal resistance, and the contrasting properties would suit different building purposes. This work provides a first step in generating recycled textile bricks for construction in a circular economy framework.
Read More...Development of selective RAC1/KLRN inhibitors
Kalirin is a guanine nucleotide exchange factor (GEF) for the GTPase RAC1, linked to schizophrenia and Alzheimer’s Disease. It plays a crucial role in synaptic plasticity by regulating dendritic spine formation and actin cytoskeleton remodeling, which are essential for creating new synapses. Authors developed two novel compounds targeting kalirin, confirming that predictive modeling can indicate biological activity.
Read More...The effect of viscous drag on damped simple harmonic motion
Dynamic viscosity is a quantity that describes the magnitude of a fluid’s internal friction or thickness. Traditionally, scientists measure this quantity by either calculating the terminal velocity of a falling sphere or the time a liquid takes to flow through a capillary tube. However, they have yet to conduct much research on finding this quantity through viscous damped simple harmonic motion. The present study hypothesized that the relationship between the dynamic viscosity and the damping coefficient is positively correlated.
Read More...Effects of Prolonged Azithromycin Therapy on Bacterial Resistance to Functionally Analogous Antibiotics
In this study, the authors investigate a potential case of cross antibiotic-resistance. Using swabs from an individual who received long-term treatments of azithromycin, they addressed the question of whether any bacteria in this individual might develop resistance to not only azithromycin, but also other antibiotics with similar structures. This study cleverly addresses the important issue of antibiotic resistance from a new and thoughtful approach.
Read More...Structure-activity relationship of berberine and G4 DNA reveals aromaticity’s effect on binding affinity
Berberine is a natural quaternary alkaloid that has anti-microbial and anti-cancer effects. This compound can bind to Guanine Quadruplex (G4) DNA secondary complexes to help inhibit cancer cell proliferation. In this study, the authors investigate whether incorporating large aromatic rings helps to stabilize berberine-G4 interactions.
Read More...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.
Read More...High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics
As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.
Read More...The Impact of Effective Density and Compressive Strength on the Structure of Crumpled Paper Balls
Crumpling is the process whereby a sheet of paper undergoes deformation to yield a three-dimensional structure comprising a random network of ridges and facets with variable density. The authors hypothesized that the more times a paper sheet is crumpled, the greater its compressive strength. Their results show a relatively strong linear relationship between the number of times a paper sheet is crumpled and its compressive strength.
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