Predicting Molecular Interactions in silico: I. A Guide to Pharmacophore Identification and its Applications to Drug Design
Here we present a broad, yet concise guide to pharmacophore identification and review a sample of applications for drug design. In particular, we present the framework of the algorithms, classify their modules and point out their advantages and challenges.
Keywords: computer-aided drug design; de-novo design; docking; lead generation; pharmacophore fingerprints; pharmacophore mapping; pharmacophore modeling; pharmacophore searching; receptor-based pharmacophore; virtual screening
Document Type: Review Article
Affiliations: School of Computer Science, Tel Aviv University, Tel Aviv 69978, Israel.
Publication date: 2004-01-01
- Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews written by leaders in the field covering a range of the current topics in medicinal chemistry. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.