MCASE study of the multidrug resistance reversal activity of propafenone analogs
- Author(s)
- G Klopman, H Zhu, Gerhard Ecker, Peter Chiba
- Abstract
A database containing 130 propafenone type chemicals which have been tested for their multidrug resistance (MDR) reversal activity was compiled. Using the Multiple Computer-Automated Structure Evaluation (MCASE) program to analyze this database, an underlying relationship between MDR reversal activity and octanol/water partition coefficient was found. An MDR reversal model was created based on this database by the baseline activity identification algorithm (BAIA) of the MCASE program. The main phamacophores relevant to MDR reversal activity were identified.
- Organisation(s)
- Department of Analytical Chemistry
- External organisation(s)
- Multicase Inc Bioactivity Software, Case Western Reserve University
- Journal
- Journal of Computer-Aided Materials Design
- Volume
- 17
- Pages
- 291-297
- No. of pages
- 7
- ISSN
- 0928-1045
- Publication date
- 2003
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 3012 Pharmacy, Pharmacology, Toxicology
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/mcase-study-of-the-multidrug-resistance-reversal-activity-of-propafenone-analogs(1dc0a0bc-a39b-4179-bc63-7844846219e2).html