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Levy & Levy tackle the optimization of the coronary artery bypass graft, a life-saving surgical technique that treats artery blockage due to coronary heart disease. The authors develop a novel auto-suturing method that saves time, allows for an increased number of sutures, and improves graft quality over hand suturing. The authors also show that increasing the number of sutures from four to five with their new method significantly improves graft quality. These promising findings may help improve outcomes for patients undergoing surgery to treat coronary heart disease.

Elevated acetylcholinesterase (AChE) activity contributes to cognitive decline and neurodegenerative diseases such as Alzheimer’s, motivating the search for more effective inhibitors with better bioavailability. This study used computational methods to design novel, non-toxic AChE inhibitors.

The authors computationally screened potential ALDH1 inhibitors, for use as potential cancer therapeutics.

Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.

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.

In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.

The authors looked at four members of the tetracycline antibiotic family/class against four different species of bacteria.

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.

Ischemic stroke occurs when blood flow to the brain is interrupted, causing brain damage. This study investigated the effectiveness of different NOX inhibitors as treatments for ischemic stroke in silico. The results help corroborate previous in vivo and in vitro studies in an in silico format, and can be used towards developing drugs to treat ischemic stroke.

Coronary artery bypass grafts are a common technique to treat coronary heart disease. The authors compared the efficacy of suturing and stapling techniques using an artificial heart pump and silicone tubing and found that suturing, while more time and skill intensive, held pressure in the tubing better than stapling.