10.1021/acs.jafc.9b00837
This study focuses on the development of chitinase inhibitors as a potential strategy for pest control, specifically targeting the chitinase enzyme (Of ChtI) from the Asian corn borer (Ostrinia furnacalis), which is crucial for the insect's molting process. The researchers utilized a pocket-based lead optimization strategy to synthesize and evaluate a series of compounds based on a 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate scaffold. The lead compound 1 was optimized by introducing various nonpolar groups at the 6-position, resulting in compound 8, which exhibited the most promising inhibitory activity with a K value of 0.71 μM. The study combines computational modeling, molecular docking, and experimental bioassays to investigate the structure-activity relationships of these compounds, providing valuable insights for the design of more effective chitinase inhibitors as green pesticides.
10.1021/ja00524a043
The research focuses on the controlled chemical synthesis of enzymatically produced eicosanoids, specifically 11-, 12-, and 15-HETE, which are derived from arachidonic acid and are precursors to hydroperoxides (HPETEs). The purpose of the study was to develop effective and selective chemical syntheses of these biologically important compounds, filling critical gaps in previous chemical knowledge and providing multigram laboratory preparation methods. The researchers achieved this by employing new synthetic methodologies, such as the use of the magnesium derivative of isopropylcyclohexylamine (MICA) for the epoxide-allylic alcohol conversion, which proved to be superior to other reagents. Key chemicals used in the process included arachidonic acid, isopropylcyclohexylamine, methylmagnesium bromide, tetrahydrofuran (THF), sodium dihydrogen phosphate, ether, silica gel, and various other reagents for specific conversion steps. The conclusions of the research demonstrated the successful synthesis of the targeted eicosanoids and the development of new synthetic methods, which are significant for both the chemical synthesis of biologically active compounds and the understanding of enzymatic processes.
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