Grabarnik M S, Iakhkind M I, Znamenskiĭ Iu V, Kocherezhko N A
Antibiot Khimioter. 1991 Apr;36(4):12-5.
The statistical analysis of 529 compounds belonging to the group of cephalosporins revealed a significant influence of oxygen-containing descriptors of the radical at position 7 in the cefem nucleus on the biological activity of the compounds. It was concluded that prediction of the antimicrobial properties of the antibiotics by the pattern recognition was possible with using factors reflecting the presence and space arrangement of the following functional groups in the cephalosporin molecules:-OH (phenolic group), C-O-C (ether), C = O (ester, amide) and -O- (in the heterocycle). The results of the study were compared with the data on the impact of nitrogen-containing descriptors on the biological activity of cephalosporins and practical recommendations for synthesis of new active compounds were proposed.
对529种头孢菌素类化合物的统计分析表明,头孢烯核7位上基团的含氧化合物描述符对这些化合物的生物活性有显著影响。得出的结论是,利用反映头孢菌素分子中以下官能团的存在和空间排列的因素,通过模式识别来预测抗生素的抗菌特性是可行的:-OH(酚基)、C-O-C(醚)、C=O(酯、酰胺)和-O-(在杂环中)。将该研究结果与含氮描述符对头孢菌素生物活性影响的数据进行了比较,并提出了合成新型活性化合物的实际建议。