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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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Flight paths over greenspace in major United States airports

Lee et al. | Sep 26, 2023

Flight paths over greenspace in major United States airports
Image credit: Mostafijur Rahman Nasim

Greenspaces (urban and wetland areas that contain vegetation) are beneficial to reducing pollution, while airplanes are a highly-polluting method of transportation. The authors examine the intersection of these two environmental factors by processing satellite images to reveal what percentage of flight paths go over greenspaces at major US airports.

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Pancreatic Adenocarcinoma: An Analysis of Drug Therapy Options through Interaction Maps and Graph Theory

Gupta et al. | Feb 04, 2014

Pancreatic Adenocarcinoma: An Analysis of Drug Therapy Options through Interaction Maps and Graph Theory

Cancer is often caused by improper function of a few proteins, and sometimes it takes only a few proteins to malfunction to cause drastic changes in cells. Here the authors look at the genes that were mutated in patients with a type of pancreatic cancer to identify proteins that are important in causing cancer. They also determined which proteins currently lack effective treatment, and suggest that certain proteins (named KRAS, CDKN2A, and RBBP8) are the most important candidates for developing drugs to treat pancreatic cancer.

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