Browse Articles

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.

Read More...

How CAFOs affect Escherichia coli contents in surrounding water sources

Lieberman et al. | Feb 24, 2023

How CAFOs affect <i>Escherichia coli</i> contents in surrounding water sources
Image credit: CDC

Commercial Concentrated Animal Feeding Operations (CAFOs) produce large quantities of waste material from the animals being housed in them. These feedlots found across the United States contain livestock that produce waste that results in hazardous runoff. This study examines how CAFOs affect water sources by testing for Escherichia Coli (E. coli) content in bodies of water near CAFOs.

Read More...

Characterizing the association between hippocampal reactive astrogliosis, anhedonia-like behaviors, and neurogenesis in a monkey model of stress and antidepressant treatment

Kim et al. | Aug 25, 2022

Characterizing the association between hippocampal reactive astrogliosis, anhedonia-like behaviors, and neurogenesis in a monkey model of stress and antidepressant treatment

This study examined the effects of stress and selective serotonin reuptake inhibitors (SSRIs) on a measure of astrocyte reactivity in nonhuman primate (NHP) models of stress. Results showed that chronic separation stress in NHPs leads to increased signs of astrogliosis in the NHP hippocampus. The findings were consistent with the hypotheses that hippocampal astrogliosis is an important mechanism in stress-induced cognitive and behavioral deficits.

Read More...

Mutation of the Catalytic Cysteine in Anopheles gambiae Transglutaminase 3 (AgTG3) Abolishes Plugin Crosslinking Activity without Disrupting Protein Folding Properties

Pham et al. | May 02, 2014

Mutation of the Catalytic Cysteine in <em>Anopheles gambiae</em> Transglutaminase 3 (AgTG3) Abolishes Plugin Crosslinking Activity without Disrupting Protein Folding Properties

Malaria is a major public health issue, especially in developing countries, and vector control is a major facet of malaria eradication efforts. Recently, sterile insect technique (SIT), or the release of sterile mosquitoes into the wild, has shown significant promise as a method of keeping vector populations under control. In this study, the authors investigate the Anopheles gambiae transglutaminase 3 protein (AgT3), which is essential to the mating of the Anopheles mosquito. They show that an active site mutation is able to abolish the activity of the AgT3 enzyme and propose it as a potential target for chemosterilant inhibitors.

Read More...

Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Luk et al. | Jan 24, 2022

Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

Read More...

Enhancing activity of antibiotics against Staphylococcus aureus with Shuang-Huang-Lian

Liu et al. | Sep 29, 2022

Enhancing activity of antibiotics against Staphylococcus aureus with Shuang-Huang-Lian

Staphylococcus aureus is a major pathogen in both hospitals and the community and can cause systemic infections such as pneumonia. Multi-drug resistant strains, such as Methicillin-resistant S. aureus (MRSA) are particularly worrisome. In order to reduce the development of bacterial resistance, we hypothesized that two selected traditional Chinese medicines, Shuang-Huang-Lian (SHL) and Lan-Qin, would be effective against S. aureus. The results showed that SHL had a synergistic effect with gentamicin as well as additive effects with penicillin and cefazolin against S. aureus compared with using antibiotics alone.

Read More...

The Inhibitory Effect of Probiotics on the Growth and Biofilm Formation of Salmonella Sp.

Lee et al. | Jan 26, 2019

The Inhibitory Effect of Probiotics on the Growth and Biofilm Formation of Salmonella Sp.

Salmonella is a genus of bacteria responsible for over 90 million cases of intestinal illnesses yearly. Like many bacteria, Salmonella can create a biofilm matrix, which confers stronger resistance against antibiotics. However, there has been relatively little research on the inhibition of Salmonella biofilm formation, which is a crucial factor in its widespread growth. In this study, Lee and Kim quantitatively measure the effectiveness of several common probiotics in inhibiting Salmonella bacterial growth. They found concentration-dependent antibacterial effects varied among the probiotics tested, indicating the possibility of probiotic species-specific mechanisms of Salmonella growth inhibition.

Read More...

Assessing CDK5 as a Nanomotor for Chemotactic Drug Delivery

Jiang et al. | Sep 08, 2022

Assessing CDK5 as a Nanomotor for Chemotactic Drug Delivery

Enzyme chemotaxis is a thermodynamic phenomenon in which enzymes move along a substrate concentration gradient towards regions with higher substrate concentrations and can be used to steer nanovehicles towards targets along natural substrate concentrations. In patients with Alzheimer’s disease, a gradient of tau protein forms in the bloodstream. Tau protein is a substrate of the enzyme CDK5, which catalyzes the phosphorylation of tau protein and can travel using chemotaxis along tau protein gradients to increasing concentrations of tau and amyloid-beta proteins. The authors hypothesized that CDK5 would be able to overcome these barriers of Brownian motion and developed a quantitative model using Michaelis-Menten kinetics to define the necessary parameters to confirm and characterize CDK5’s chemotactic behavior to establish its utility in drug delivery and other applications.

Read More...

Failure of colony growth in probiotic Lactobacillus casei Shirota as result of preservative sorbic acid

Raymond et al. | May 07, 2023

Failure of colony growth in probiotic <i>Lactobacillus casei</i> Shirota as result of preservative sorbic acid

This study tested the proficiency of different concentrations of the antimicrobial sorbic acid to inhibit the probiotic Lactobacillus casei Shirota. It was hypothesized that sorbic acid’s use as a bacterial deterrent would also target this bacterial strain of Lactobacillus. The results supported the hypothesis, with the colony count of L. casei Shirota having significant decreases at all concentrations of sorbic acid. These results additionally suggest that even under the FDA sorbic acid restrictions of 0.03% concentration, damaging effects could be seen in L. casei Shirota.

Read More...

Search Articles

Search articles by title, author name, or tags

Clear all filters

Popular Tags

Browse by school level