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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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The Protective Effects of Panax notoginseng Saponin on the Blood-Brain Barrier via the Nrf2/ARE Pathway in bEnd3 Cells

Yang et al. | Apr 06, 2016

The Protective Effects of <i>Panax notoginseng</i> Saponin on the Blood-Brain Barrier via the Nrf2/ARE Pathway in bEnd3 Cells

Disruption of the blood-brain barrier (BBB) is related to many neurological disorders, and can be caused by oxidative stress to cerebral microvascular endothelial cells (CMECs) composing the BBB. The authors of the paper investigated the protective effects of the total saponins in the leaves of Panax notoginseng (LPNS) on oxidative-stress-induced damage in a mouse cerebral microvascular endothelial cell line.

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Identification of a Free Radical Scavenger as an Additive for Lung Transplant Preservation Solution to Inhibit Coagulative Necrosis and Extend Organ Preservation

Ganesh et al. | Feb 12, 2015

Identification of a Free Radical Scavenger as an Additive for Lung Transplant Preservation Solution to Inhibit Coagulative Necrosis and Extend Organ Preservation

During transfer of organs from a donor to a patient, the organs deteriorate in part due to damage by free radicals. Application of antioxidant solutions could extend organ preservation times. The authors found that vitamin E and butylated hydroxytoluene seemed to be most effective in arresting cell damage of a bovine lung.

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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.

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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.

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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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Augmented Reality Chess Analyzer (ARChessAnalyzer): In-Device Inference of Physical Chess Game Positions through Board Segmentation and Piece Recognition using Convolutional Neural Networks

Mehta et al. | Jul 17, 2020

Augmented Reality Chess Analyzer (ARChessAnalyzer): In-Device Inference of Physical Chess Game Positions through Board Segmentation and Piece Recognition using Convolutional Neural Networks

In this study the authors develop an app for faster chess game entry method to help chess learners improve their game. This culminated in the Augmented Reality Chess Analyzer (ARChessAnalyzer) which uses traditional image and vision techniques for chess board recognition and Convolutional Neural Networks (CNN) for chess piece recognition.

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QuitPuff: A Simple Method Using Saliva to Assess the Risk of Oral Pre-Cancerous Lesions and Oral Squamous Cell Carcinoma in Chronic Smokers

Shamsher et al. | Mar 27, 2019

QuitPuff: A Simple Method Using Saliva to Assess the Risk of Oral Pre-Cancerous Lesions and Oral Squamous Cell Carcinoma in Chronic Smokers

Smoking generates free radicals and reactive oxygen species which induce cell damage and lipid peroxidation. This is linked to the development of oral cancer in chronic smokers. The authors of this study developed Quitpuff, simple colorimetric test to measure the extent of lipid peroxidation in saliva samples. This test detected salivary lipid peroxidation with 96% accuracy in test subjects and could serve as an inexpensive, non-invasive test for smokers to measure degree of salivary lipid peroxidation and potential risk of oral cancer.

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The Cilium- and Centrosome-Associated Protein CCDC11 Is Required for Cytokinesis via Midbody Recruitment of the ESCRT- III Membrane Scission Complex Subunit CHMP2A

Ahmed et al. | Mar 14, 2018

The Cilium- and Centrosome-Associated Protein CCDC11 Is Required for Cytokinesis via Midbody Recruitment of the ESCRT- III Membrane Scission Complex Subunit CHMP2A

In order for cells to successfully multiply, a number of proteins are needed to correctly coordinate the replication and division process. In this study, students use fluorescence microscopy and molecular methods to study CCDC11, a protein critical in the formation of cilia. Interestingly, they uncover a new role for CCDC11, critical in the cell division across multiple human cell lines.

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