Novel enantiopure δ-thiolactones: synthesis, structural characterization, and reactivity studies.

A new series of chiral δ-thiolactone derivatives have been prepared. These compounds exemplify the acetalic N-C-S reversibility of fused thiazolidines toward the thermodynamic product. The stereochemistry of the synthesized compounds was elucidated using X-ray crystallography, NOESY spectroscopy, and DFT calculations.

Rhodoquinone-dependent electron transport chain is essential for Caenorhabditis elegans survival in hydrogen sulfide environments.

Hydrogen sulfide (HS) has traditionally been considered an environmental toxin for animal lineages; yet, it plays a signaling role in various processes at low concentrations. Mechanisms controlling HS in animals, especially in sulfide-rich environments, are not fully understood. The main detoxification pathway involves the conversion of HS into less harmful forms, through a mitochondrial oxidation pathway.

A Screening of 10,240 NatureBank Fractions Identifies Nematicidal Activity in Agelasine-Containing Extracts from Sponges.

Nematode infections affect a fifth of the human population, livestock, and crops worldwide, imposing a burden to global public health and economies, particularly in developing nations. Resistance to commercial anthelmintics has increased over the years in livestock infections and driven the pursuit for new drugs. We herein present a rapid, cost-effective, and automated assay for nematicide discovery using the free-living nematode to screen a highly diverse natural product library enriched in bioactive molecules.

Novel Kinetic Resolution of Thiazolo-Benzimidazolines Using MAO Enzymes.

The kinetic resolution of racemic 1,3-thiazolo[3,4-]benzimidazoline (TBIM) heterocycles was achieved using whole cells expressing the MAO-N D11 enzyme. Several cosolvents were screened using TBIM as the substrate. DMF was the best cosolvent, affording the pure enantiomer (+)- in 44% yield, 94% ee.

Structure-Based Bioisosterism Design, Synthesis, Biological Evaluation and In Silico Studies of Benzamide Analogs as Potential Anthelmintics.

A recent screen of 67,012 compounds identified a new family of compounds with excellent nematicidal activity: the -substituted benzamide families Wact-11 and Wact-12. These compounds are active against and parasitic nematodes by selectively inhibiting nematode complex II, and they display low toxicity in mammalian cells and vertebrate organisms. Although a big number of benzamides were tested against in high-throughput screens, bioisosteres of the amide moiety were not represented in the chemical space examined.

Increased sensitivity of an infrared motility assay for nematicide discovery.

Parasitic nematodes constitute a health problem for humans, livestock and crops, and cause huge economic losses to developing-country economies. Due to the spread of nematicide resistance, there is an urgent need for new drugs. is now recognized as a cost-effective alternative for the screening of compound libraries with potential nematicidal activity, as parasitic organisms are hard to maintain under laboratory conditions.

A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors.

Antibiotic resistance is a major threat to global public health. β-lactamases, which catalyze breakdown of β-lactam antibiotics, are a principal cause. Metallo β-lactamases (MBLs) represent a particular challenge because they hydrolyze almost all β-lactams and to date no MBL inhibitor has been approved for clinical use.

Synthesis of bicyclic 1,4-thiazepines as novel anti- agents.

1,4-Thiazepines derivatives are pharmacologically important heterocycles with different applications in medicinal chemistry. In the present work, we describe the preparation of new bicyclic thiazolidinyl-1,4-thiazepines by reaction between azadithiane compounds and Michael acceptors. The reaction scope was explored and the yields were optimized.