Next Article in Journal / Special Issue
Exploring QSAR of Non-Nucleoside Reverse Transcriptase Inhibitors by Neural Networks: TIBO Derivatives
Previous Article in Journal / Special Issue
Proceedings of the 9th Electronic Computational Chemistry Conference
Open AccessArticle

Molecular Similarity of MDR Inhibitors

by Mire Zloh 1,* and 2
1
University of London School of Pharmacy, Department of Pharmaceutical and Biological Chemistry, 29-39 Brunswick Square, London WC1N 1AX, UK
2
University of London School of Pharmacy, Centre for Pharmacognosy and Phytotherapy, 29-39 Brunswick Square, London WC1N 1AX, UK
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2004, 5(2), 37-47; https://doi.org/10.3390/i5020037
Received: 10 April 2003 / Accepted: 31 August 2003 / Published: 30 January 2004
The molecular similarity of multidrug resistance (MDR) inhibitors was evaluated using the point centred atom charge approach in an attempt to find some common features of structurally unrelated inhibitors. A series of inhibitors of bacterial MDR were studied and there is a high similarity between these in terms of their shape, presence and orientation of aromatic ring moieties. A comparison of the lipophilic properties of these molecules has also been conducted suggesting that this factor is important in MDR inhibition. View Full-Text
Keywords: MDR; multidrug resistance; inhibitor; molecular similarity; SAR; ab initio MDR; multidrug resistance; inhibitor; molecular similarity; SAR; ab initio
Show Figures

Figure 1

MDPI and ACS Style

Zloh, M.; Gibbons, S. Molecular Similarity of MDR Inhibitors. Int. J. Mol. Sci. 2004, 5, 37-47.

Show more citation formats Show less citations formats

Article Access Map by Country/Region

1
Only visits after 24 November 2015 are recorded.
Search more from Scilit
 
Search
Back to TopTop