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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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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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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.

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Anticancer, anti-inflammatory, and apoptotic activities of MAT20, a poly-herbal formulation.

Kashyap Jha et al. | Mar 29, 2022

Anticancer, anti-inflammatory, and apoptotic activities of MAT20, a poly-herbal formulation.

Kashyap Jha et al. look at the formulation of MAT20, a crude extract of the moringa, amla, and tulsi leaves, as a potential complementary and alternative medicine. Using HeLa cells, they find MAT20 up-regulates expression of inflammation and cell cytotoxicity markers. Their data is important for understanding the anti-cancer and anti-inflammatory properties of MAT20.

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Comparative Analysis of Vital Capacities of Athletes, Singers and Other Students of Age 13-14 Years: A Cross-Sectional Observational Study

Taneja et al. | Sep 30, 2019

Comparative Analysis of Vital Capacities of Athletes, Singers and Other Students of Age 13-14 Years: A Cross-Sectional Observational Study

Physical activity when performed regularly has beneficial effects on all systems of the body, including pulmonary functions. This study, conducted at Springdales School in Dhaula Kuan, New Delhi, aimed to determine the effect of sports and singing on the vital capacity (the maximum amount of air a person can expel from the lungs after a maximum inhalation), an important measure of pulmonary health.

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Association between nonpharmacological interventions and dementia: A retrospective cohort study

Yerabandi et al. | Jan 09, 2023

Association between nonpharmacological interventions and dementia: A retrospective cohort study
Image credit: Ross Sneddon

Here, the authors investigated the role of nonpharmacological interventions in preventing or delaying cognitive impairment in individuals with and without dementia. By using a retrospective case-control study of 22 participants across two senior centers in San Diego, they found no significant differences in self-reported activities. However, they found that their results reflected activity rather than the activity itself, suggesting the need for an alternative type of study.

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A comparative study on the suitability of virtual labs for school chemistry experiments

Praveen et al. | Aug 22, 2022

A comparative study on the suitability of virtual labs for school chemistry experiments

Virtual labs have been gaining popularity over the last few years, especially during the worldwide lockdown due to the COVID-19 pandemic. In this study, the suitability of virtual labs for school chemistry experiments is addressed and their effectiveness is compared to traditional physical lab experiments by focusing on physical and human resources, convenience, cost, safety, and time involved as well as topic "matter".

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Giving Teens a Voice: Sources of Stress for High School Students

Corson et al. | Sep 09, 2019

Giving Teens a Voice: Sources of Stress for High School Students

The authors investigate the negative effects stress has on teen mental and physical health. Through a survey, they give Virginia teens a voice in revising the Health and Physical Education curriculum to include a standards of learning (SOL). Notably they identify factors contributing to stress levels including homework level, amount of free and sleep time, parental pressure and family encouragement.

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