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High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

Shern et al. | Jan 20, 2021

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.

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Combating Insulin Resistance Using Medicinal Plants as a Supplementary Therapy to Metformin in 3T3-L1 Adipocytes: Improving Early Intervention-Based Diabetes Treatment

Jayram et al. | Apr 08, 2019

Combating Insulin Resistance Using Medicinal Plants as a Supplementary Therapy to Metformin in 3T3-L1 Adipocytes: Improving Early Intervention-Based Diabetes Treatment

A primary cause of diabetes is insulin resistance, which is caused by disruption of insulin signal transduction. The objective of this study was to maximize insulin sensitivity by creating a more effective, early intervention-based treatment to avert severe T2D. This treatment combined metformin, “the insulin sensitizer”, and medicinal plants, curcumin, fenugreek, and nettle.

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The sweetened actualities of neural membrane proteins: A computational structural analysis

Chauhan et al. | Nov 03, 2022

The sweetened actualities of neural membrane proteins: A computational structural analysis

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

Lee et al. | Mar 30, 2022

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.

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Effectiveness of Biodegradable Plastic in Preventing Food Spoilage

Zhang et al. | Mar 20, 2012

Effectiveness of Biodegradable Plastic in Preventing Food Spoilage

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!

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Cocktail therapy to inhibit multispecies biofilm in cystic fibrosis patients

Bhat et al. | Sep 22, 2022

Cocktail therapy to inhibit multispecies biofilm in cystic fibrosis patients

Here, recognizing the important role of bacterial biofilms in many life-threatening chronic infections, the authors investigated the effectiveness of a combination treatment on biofilms composed of up to three different common species within the lungs of cystic fibrosis patients with computational analysis. They found that a triple cocktail therapy targeting three different signaling pathways has significant potential as both a treatment and prophylaxis.

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