-
Estimation of passive gastrointestinal absorption of new dual DNA gyrase and topoisomerase IV inhibitors using PAMPA and biopartitioning micellar chromatography and quantitative structure-retention relationship analysisDobričić, Vladimir ...DNA gyrase and topoisomerase IV play significant role in maintaining the correct structure of DNA during replication and they have been identified as validated targets in antibacterial drug ... discovery. Inadequate pharmacokinetic properties are responsible for many failures during drug discovery and their estimation in the early phase of this process maximizes the chance of getting useful drug candidates. Passive gastrointestinal absorption of a selected group of thirteen dual DNA gyrase and topoisomerase IV inhibitors was estimated using two in vitro tests – parallel artificial membrane permeability assay (PAMPA) and biopartitioning micellar chromatography (BMC). Due to good correlation between obtained results, passive gastrointestinal absorption of remaining ten compounds was estimated using only BMC. With this experimental setup, it was possible to identify compounds with high values of retention factors (k) and highest expected passive gastrointestinal absorption, and compounds with low values of k for which low passive gastrointestinal absorption is predicted. Quantitative structure-retention relationship (QSRR) modelling was performed by creating multiple linear regression (MLR), partial least squares (PLS) and support vector machines (SVM) models. Descriptors with the highest influence on retention factor were identified and their interpretation can be used for the design of new compounds with improved passive gastrointestinal absorption.Source: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. - ISSN 1570-0232 (Vol. 1240, 1 June 2024, 8 str.)Type of material - article, component part ; adult, seriousPublish date - 2024Language - englishCOBISS.SI-ID - 196044547
Author
Dobričić, Vladimir |
Marodi, Marko |
Marković, Bojan |
Tomašič, Tihomir |
Durcik, Martina |
Zidar, Nace |
Peterlin-Mašič, Lucija |
Ilaš, Janez |
Kikelj, Danijel |
Čudina, Olivera
Topics
Zdravila |
Farmacevtska kemija |
biorazdelitvena micelarna kromatografija |
PAMPA |
pasivna absorpcija v prebavilih |
kvantitativna analiza razmerja med strukturo in zadrževanjem |
oblikovanje zdravila |
biopartitioning micellar chromatography |
PAMPA |
passive gastrointestinal absorption |
quantitative structure-retention relationship analysis |
drug design
Shelf entry
Permalink
- URL:
Impact factor
Access to the JCR database is permitted only to users from Slovenia. Your current IP address is not on the list of IP addresses with access permission, and authentication with the relevant AAI accout is required.
Year | Impact factor | Edition | Category | Classification | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Select the library membership card:
DRS, in which the journal is indexed
Database name | Field | Year |
---|
Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
---|---|
Dobričić, Vladimir | |
Marodi, Marko | |
Marković, Bojan | |
Tomašič, Tihomir | 28334 |
Durcik, Martina | 50490 |
Zidar, Nace | 28905 |
Peterlin-Mašič, Lucija | 19317 |
Ilaš, Janez | 24400 |
Kikelj, Danijel | 01463 |
Čudina, Olivera |
Select pickup location:
Material pickup by post
Notification
Subject headings in COBISS General List of Subject Headings
Select pickup location
Pickup location | Material status | Reservation |
---|
Please wait a moment.