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.

Here, seeking to better understand the roles of glycans in the receptors of active sites of neuronal cells, the authors used molecular dynamics simulations to to uncover the dynamic nature of N-glycans on membrane proteins. The authors suggest the study of theinteractions of these membrane poreins could provide future potential therapeutic targets to treat mental diseases.

Unsatisfactory hand hygiene leads to the spread of bacterial infections from person to person. To address this problem, the authors developed and tested the PeelTowel, an antibacterial and water-absorbing towel made of a combination of fruit peels and recycled paper waste.

Chemical preservatives are often used to reduce grain spoilage due to mold, but can have harmful heath and environmental effects. In this study, the authors tested three low toxic compounds for their effects on mold growth on corn kernels and found that all three were successful at slowing growth.

Here, seeking to identify a possible explanation for the more frequent diagnosis of autism spectrum disorder (ASD) in males than females, they sought to investigate a potential sex bias in the expression of ASD-associated genes. Based on their analysis, they identified 17 ASD-associated candidate genes that showed stronger collective sex-dependent expression.

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.

Here, seeking to identify the risk of coronary artery disease (CAD), a major cause of cardiovascular disease, the authors used Mendelian randomization. With this method they identified several traits such as blood pressure readings, LDL cholesterol and BMI as significant risk factors. While other traits were not found to be significant risk factors.

In this study, the authors investigate the effect of a herbal formulation on Cyclooxygenase-2 (COX-2) expression in cancer cells. High levels of COX-2 correlates with worsened cancer outcomes and the authors hypothesize that the formulation will inhibit COX-2 levels.

Most people put little thought into the type of plastic wrap they use to store their leftovers. This study investigates the differences between biodegradable plastic wrap and non-biodegradable plastic wrap in their ability to prevent food spoilage. Does one work better than the other? Read more to find out!

The authors set out to develop an electrochemical device that would have efficient and sustained carbon dioxide capture.