Abstract
Virtual screening, especially the structure-based virtual screening, has emerged as a reliable, cost-effective and time-saving technique for the discovery of lead compounds. Here, the basic ideas and computational tools for virtual screening have been briefly introduced, and emphasis is placed on aspects of recent development of docking-based virtual screening, scoring functions in molecular docking and ADME/Tox-based virtual screening in the past three years (2000 to 2003). Moreover, successful examples are provided to further demonstrate the effectiveness of virtual screening in drug discovery.
Keywords: Virtual screening, molecular docking, database screening, pharmacophore modeling, ADME, structure-based drug design, scoring function, de novo drug design
Related Journals
Current Chinese Science
Anti-Cancer Agents in Medicinal Chemistry
Current Computer-Aided Drug Design
Current Bioactive Compounds
Current Medicinal Chemistry
Current Topics in Chemistry
The Natural Products Journal
Current Catalysis
Current Chinese Chemistry
Combinatorial Chemistry & High Throughput Screening
Related Books
A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Advances in Mathematical Chemistry and Applications
Advances in Mathematical Chemistry and Applications
Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis
Advances in Organic Synthesis