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Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

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.

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Effect of Collagen Gel Structure on Fibroblast Phenotype

Grace et al. | Nov 28, 2012

Effect of Collagen Gel Structure on Fibroblast Phenotype

Environment affects the progression of life, especially at the cellular level. This study investigates multiple 3-dimensional growth environments, also known as scaffolds or hydrogels, and their effect on the growth of a type of cells called fibroblasts. These results suggest that a scaffold made of collagen and polyethylene glycol are favorable for cell growth. This research is useful for developing implantable devices to aid wound healing.

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Osmotic characteristics of water retention structures of Bursera microphylla in relation to soil salinity

Groom et al. | Jul 12, 2023

Osmotic characteristics of water retention structures of <i>Bursera microphylla</i> in relation to soil salinity
Image credit: Lisa Fotios

This study hypothesized that sodium chloride was taken up through plant root structures to facilitate water transportation, and that sodium chloride accumulation was directly proportional to the soil salinity. Results showed that most cells within the “bulb” structures were isotonic at a concentration approximately twice as high as that of root tissue and ambient soil salinity, therefore supporting the presented hypothesis.

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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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Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

Poosarla et al. | Oct 19, 2021

Strain-selective <i>in vitro</i> and <i>in silico</i> structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

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The Impact of Effective Density and Compressive Strength on the Structure of Crumpled Paper Balls

Chu et al. | Nov 19, 2020

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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The Effect of Ultraviolet Radiation and the Antioxidant Curcumin on the Longevity, Fertility, and Physical Structure of Drosophila melanogaster: Can We Defend Our DNA?

Lateef et al. | May 18, 2019

The Effect of Ultraviolet Radiation and the Antioxidant Curcumin on the Longevity, Fertility, and Physical Structure of <em>Drosophila melanogaster</em>: Can We Defend Our DNA?

Ultraviolet (UV) radiation is known to alter DNA structure and impair cellular function in all living organisms. In this study, Lateef et al examine the effects of UV radiation to determine whether antioxidant-enriched nutrition can combat the potential deleterious effects of UV radiation on Drosophila melanogaster. They found that UVB (320nm) radiation caused a 59% decrease in the Drosophila lifespan and mutagenic effects on flies' physical appearance, but did not significantly affect fertility. Curcumin significantly prolonged lifespan and enhanced fertility for both UV- and non-UV-exposed flies. The research demonstrates the positive potential of natural antioxidants as weapons against radiation-induced diseases including cancer.

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The Role of Temporal Lobe Epilepsy in Cardiac Structure and Function

Choi et al. | Aug 15, 2018

The Role of Temporal Lobe Epilepsy in Cardiac Structure and Function

Cardiac autonomic and structural changes may occur in temporal lobe epilepsy patients and contribute to the risk of sudden unexpected death in epilepsy patients. Choi and colleagues reviewed clinical charts to obtain patients’ lifetime seizure count, antiepileptic drug use, and history of heart disease, followed by transthoracic echocardiogram to calculate left ventricle dimensions, ejection fraction, and left ventricle mass. By comparing epilepsy patients to control subjects, they found that epilepsy patients had thinner left ventricle walls and smaller ejection fraction, but with no significant difference in left ventricle mass.

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Effects of vascular normalizing agents on immune marker expression in T cells, dendritic cells, and melanoma cells

Yaskolko et al. | Nov 03, 2021

Effects of vascular normalizing agents on immune marker expression in T cells, dendritic cells, and melanoma cells

Tertiary lymphoid structures (TLS) are lymph node-like structures that form at sites of inflammation, and their presence in cancer patients is predictive of a better clinical outcome. One significant obstacle to TLS formation is reduced immune cell infiltration into the tumor microenvironment (TME). Recent studies have shown that vasculature normalizing (VN) agents may override this defect to improve tissue perfusion and increased immune cell entry into the TME. However, their effects on immune cell and tumor cell phenotype remain understudied. Here the authors investigate whether treating tumor cells with VN would reduce their immunosuppressive phenotype and promote production of chemokine that recruit immune cells and foster TLS formation.

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