Chemoinformatic Analysis of Biologically Active Macrocycles

Title: Chemoinformatic Analysis of Biologically Active Macrocycles

Volume: 10 Issue: 14

Author(s): Wolfgang Brandt, V. Joachim Haupt and Ludger A. Wessjohann

Affiliation:

Keywords: Computational chemistry, quantitative structure activity relationship (QSAR), antibiotics, anticancer agents, chemoinformatics, databases, natural products, macrocycles

Abstract: In this review, macrocycles are defined as organic molecules containing at least one non-bridged cycle of 12 or more covalently connected atoms. Common statistical aspects as well as structure activity relationships (SAR) of macrocycles based on chemoinformatics methods are discussed. Can macrocyclic structural features be linked to activities against cancer cells, viruses like HIV, or bacteria? General challenges and problems in using chemoinformatics for more detailed analyses of macrocycles based on large compound databases are outlined.

Cite this article as:

Brandt Wolfgang, Joachim Haupt V. and A. Wessjohann Ludger, Chemoinformatic Analysis of Biologically Active Macrocycles, Current Topics in Medicinal Chemistry 2010; 10 (14) . https://dx.doi.org/10.2174/156802610792232060