20.500.12556/RUL-165210 High-performance liquid chromatography evaluation of lipophilicity and QSRR modeling of a series of dual DNA gyrase and topoisomerase IV inhibitors Bacterial DNA gyrase and topoisomerase IV control the topological state of DNA during replication and represent important antibacterial drug targets. To be successful as drug candidates, newly synthesized compounds must possess optimal lipophilicity, which enables efficient delivery to the site of action. In this study, retention behavior of twenty-three previously synthesized dual DNA gyrase and topoisomerase IV inhibitors was tested in RP-HPLC system, consisting of C8 column and acetonitrile/phosphate buffer (pH 5.5 and pH 7.4) mobile phase. logD was calculated at both pH values and the best correlation with logD was obtained for retention parameter φ0, indicating that this RP-HPLC system could be used as an alternative to the shake-flask determination of lipophilicity. Subsequent QSRR analysis revealed that intrinsic lipophilicity (logP) and molecular weight (bcutm13) have a positive, while solubility (bcutp3) has a negative influence on this retention parameter. RP-HPLC DNA gyrase and topoisomerase IV inhibitors lipophilicity prediction PLS MLR models SVM models protibakterijska zdravila zaviralci topoizomeraze IV bakterijska DNA giraza tekočinska kromatografija visoke ločljivosti zdravila tekočinska kromatografija true false true Angleški jezik Slovenski jezik Članek v reviji 2024-11-27 08:27:56 2024-11-27 08:27:59 2024-11-28 04:02:41 0000-00-00 00:00:00 2024 0 0 Str. 45-51 no. 1 Vol. 36 2024 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 543.544.5:615.28 2083-5736 10.1556/1326.2022.01096 132432387 1326-article-p45.pdf 1326-article-p45.pdf 1 0B776D7C0726B977BF2E6C3EEA06DD27 37b0b7f0773257386909b2503c639a1fd459a9bfc898bc91600e07e1f228b60f 33a25120-ac91-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=196245 https://akjournals.com/view/journals/1326/36/1/article-p45.xml 1 b927ca81-ac90-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=196243 Fakulteta za farmacijo 0 0 0