Mut-Ronda S, Salabert-Salvador M T, Duart M J, Antón-Fos G M
Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Universidad de Valencia, Valencia, Spain.
Bioorg Med Chem Lett. 2003 Aug 18;13(16):2699-702. doi: 10.1016/s0960-894x(03)00544-4.
Molecular topology was used to obtain substances with antimicrobial activity. Selected quinolones were employed to develop the corresponding connectivity functions and discriminant equation. Limiting functions were selected that allowed the discriminant function to more efficiently distinguish substances with and without antibacterial activity. Antibacterial tests were run to confirm the theoretically established activity.
利用分子拓扑学来获取具有抗菌活性的物质。选用喹诺酮类药物来建立相应的连接性函数和判别方程。选择了极限函数，使判别函数能更有效地区分具有和不具有抗菌活性的物质。进行抗菌测试以确认理论上确定的活性。
