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.
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Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models
Inefficient penetration of cancer drugs into the interior of the three-dimensional (3D) tumor tissue limits drugs' delivery. The authors hypothesized that the addition of phospholipase A2 (PLA2) would increase the permeability of the drug doxorubicin for efficient drug penetration. They found that 1 mM PLA2 had the highest permeability. Increased efficiency in drug delivery would allow lower concentrations of drugs to be used, minimizing damage to normal cells.
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...Antibacterial Activity and Absorption of Paper Towels Made From Fruit Peel Extracts
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.
Read More...Evaluating Biomarkers and Treatments for Acute Kidney Injury in a Zebrafish Model
Coronary Artery Disease (CAD) is the leading cause of death in the United States, and 81% of Acute Kidney Injury (AKI) patients in the renal fibrosis stage later develop CAD. In this study, Mathew and Joykutty aimed to create a cost-effective strategy to treat AKI and thus prevent CAD using a model of the zebrafish, Danio rerio. They first tested whether AKI is induced in Danio rerio upon exposure to environmental toxins, then evaluated nitrotyrosine as an early biomarker for toxin-induced AKI. Finally, they evaluated 4 treatments of renal fibrosis, the last stage of AKI, and found that the compound SB431542 was the most effective treatment (reduced fibrosis by 99.97%). Their approach to treating AKI patients, and potentially prevent CAD, is economically feasible for translation into the clinic in both developing and developed countries.
Read More...Understanding the Mechanism of Star-Block Copolymers as Nanoreactors for Synthesis of Well-Defined Silver Nanoparticles
Here, the authors characterize how silver ions nucleate a star-block copolymer to generate nano-sized silver particles.
Read More...Vitamin C in Fruits: Does Organic Make a Difference?
Vitamin C is an essential nutrient that is involved in many important cellular processes. Humans are unable to produce Vitamin C and thus must obtain it from exogenous sources such as citrus fruits, peppers, or flowering vegetables. In this study, the authors investigate whether or not organic and non-organic fruits have comparable vitamin C levels. This type of study has important implications for consumers.
Read More...SOS-PVCase: A machine learning optimized lignin peroxidase with polyvinyl chloride (PVC) degrading properties
The authors looked at the primary structure of lignin peroxidase in an attempt to identify mutations that would improve both the stability and solubility of the peroxidase protein. The goal is to engineer peroxidase enzymes that are stable to help break down polymers, such as PVC, into monomers that can be reused instead of going to landfills.
Read More...Deciphering correlation and causation in risk factors for heart disease with Mendelian randomization
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.
Read More...Managing CO2 levels through precipitation-based capture from seawater and electrochemical conversion
The authors set out to develop an electrochemical device that would have efficient and sustained carbon dioxide capture.
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