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.
10.1016/S0960-894X(01)00782-X
The study focuses on the synthesis and biological activity of new 5-fluorocytosine derivatives, specifically 50-deoxy-N-alkyloxycarbonyl-5-fluorocytosine-50-carboxylic acid 6, which were designed to possess potent antitumor activity and low toxicity. The chemicals used in the study include 5-fluorocytosine, 1,1,1,3,3,3-hexamethyldisilazane, ammonium sulfate, b-dribofuranose 1,2,3,5-tetraacetate, N,N-diisopropylethylamine, alkyl chloroformate, sodium methoxide, and platinum oxide. These chemicals served various purposes in the synthetic route to produce the new derivatives, such as coupling agents, catalysts, and reagents for alkyloxycarbonylation, hydrolysis, and oxidation steps. The purpose of these chemicals was to create new compounds that could potentially replace or improve upon existing chemotherapeutic agents like 5-fluorouracil (5-FU) and capecitabine, offering more effective cancer treatment with fewer side effects.