Molecular conceptor for training in medicinal chemistry, drug design, and cheminformatics

Abstract

Current emphasis on structure-based design and other computational methods have encouraged medicinal chemists to learn traditionally 'expert' techniques of molecular modeling, computer-aided drug design, and cheminformatics. Molecular Conceptor (Synergix Ltd) is a multimedia software for teaching three-dimensional drug design principles. It present techniques and strategies used in drug design and cheminformatics with general guidelines for their successful application. Discovery of lead compounds and concepts are illustrated with manipulatable views of molecules, pharmacophores, and protein-ligand complexes. It is a unique teaching and learning aid for medicinal chemists, instructors, students, and others who need in-depth knowledge of these important techniques, as well as a valuable refresher course for professional modelers.