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An in silico molecular analysis of the antifungal properties of Ageratum conyzoides

Sathish et al. | Apr 28, 2026

An <i>in silico</i> molecular analysis of the antifungal properties of <i>Ageratum conyzoides</i>
Image credit: Bánh Bao Chiên

This study explores the interaction between precocene II and trichocethecene 3-O-acetyltransferase using molecular docking simulations. Computational analysis identified several potential binding sites on the enzyme surface and predicted favorable ligand-protein interactions involving key residues. These findings provide insight into how precocene II may interact with this enzyme and demonstrate the use of computational approaches to explore potential antifungal mechanisms.

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Improving Wound Healing by Breaking Down Biofilm Formation and Reducing Nosocomial Infections

DiStefano et al. | Jul 09, 2019

Improving Wound Healing by Breaking Down Biofilm Formation and Reducing Nosocomial Infections

In a 10-year period in the early 2000’s, hospital-based (nosocomial) infections increased by 123%, and this number is increasing as time goes on. The purpose of this experiment was to use hyaluronic acid, silver nanoparticles, and a bacteriophage cocktail to create a hydrogel that promotes wound healing by increasing cell proliferation while simultaneously disrupting biofilm formation and breaking down Staphylococcus aureus and Pseudomonas aeruginosa, which are two strains of bacteria that attribute to nosocomial infections and are increasing in antibiotic resistance.

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How Ethanol Concentration Affects Catalase Catalysis of Hydrogen Peroxide

Liu et al. | Nov 15, 2021

How Ethanol Concentration Affects Catalase Catalysis of Hydrogen Peroxide

Catalase is a critical enzyme in the human body because it is capable of converting potentially dangerous hydrogen peroxide into water and oxygen. This work asks whether ethanol affects catalase activity, as alcohol consumption has been often linked to hepatitis occurring in the liver, where catalase level is especially high, and ethanol is known to be capable of denaturing proteins. Testing different concentrations of ethanol found that higher concentrations reduced the activity of catalase. This work has important implications on the negative effects of ethanol on metabolism, in which catalase plays an important role, and protein function more broadly.

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Racemic serine is less soluble than pure enantiomers due to stronger intermolecular hydrogen bonds

Ranka et al. | Nov 18, 2021

Racemic serine is less soluble than pure enantiomers due to stronger intermolecular hydrogen bonds

Seeking to develop a better understanding of the chemical and physical properties of amino acids that compose proteins, here the authors investigated the unusual relative insolubility of racemic mixtures of D- and L-serine compared to the solubility of pure D- or L-serine. The authors used a combination of microscopy and temperature measurements alongside previous X-ray diffraction studies to conclude that racemic DL-serine crystals consist of comparatively stronger hydrogen bond interactions compared to crystals of pure enantiomers. These stronger interactions were found to result in the unique release of heat during the crystallization of racemic mixtures.

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