Docking-Based Virtual Screening: Recent Developments

Title: Docking-Based Virtual Screening: Recent Developments

Volume: 12 Issue: 3

Author(s): Tiziano Tuccinardi

Affiliation:

Keywords: Docking, virtual screening

Abstract: Virtual (database) screening (VS) of molecules promises to accelerate the discovery of new drugs and reduce costs by identifying molecules with high probabilities of binding to a target receptor. The large amount of available protein X-ray crystal structures, together with the development of more effective homology modelling techniques, has led recently to a steep increase in docking-based VS studies. This approach needs computational fitting of molecules into a receptor active site using advanced algorithms, followed by the scoring and ranking of these molecules to identify potential leads. In this review, the main published docking-based VS studies developed over the last eight years are investigated, and details are provided about the software used, the results achieved and the novel methods employed.

Cite this article as:

Tuccinardi Tiziano, Docking-Based Virtual Screening: Recent Developments, Combinatorial Chemistry & High Throughput Screening 2009; 12 (3) . https://dx.doi.org/10.2174/138620709787581666