In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Design, synthesis, and structure-activity relationship studies of novel pleuromutilin derivatives having a piperazine ring, published in 2016, which mentions a compound: 56621-48-8, mainly applied to pleuromutilin antibiotic preparation aryl pyrazinyl derivative structure activity relationship; drug design; molecular modeling; natural product; structure-based drug design, Recommanded Product: 56621-48-8.
A series of novel pleuromutilin derivatives I (R = 2-MeOC6H4, 3-MeOC6H4, 4-MeOC6H4, 2-MeC6H4, 3-MeC6H4, 4-MeC6H4, 2-HOC6H4, 3-HOC6H4, 4-HOC6H4, 2-NO2C6H4, 3-NO2C6H4, 4-NO2C6H4, 2-ClC6H4, 3-ClC6H4, 4-ClC6H4, Ph, Me), possessing piperazine moieties were synthesized under mild conditions. The in vitro antibacterial activities of these derivatives against Staphylococcus aureus and Escherichia coli were tested by the agar dilution method. Structure-activity relationship studies resulted in compounds 11b (R = 3-MeOC6H4), 13b (R = 3-HOC6H4), and 14a (R = 2-NO2C6H4) with the most potent in vitro antibacterial activity among the series (minimal inhibitory concentration of 0.0625-0.125 μg/mL). The binding of compounds 11b, 13b, and 14a to the E. coli ribosome was investigated by mol. modeling, and it was found that there is a reasonable correlation between the binding free energy and the antibacterial activity.
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