Hunting Drugs for Potent Antigens in the Silicon Valley

Hunting Drugs for Potent Antigens in the Silicon Valley

Ashish Runthala (Birla Institute of Technology & Science, India)
DOI: 10.4018/978-1-61520-977-4.ch010

Abstract

In this chapter author’s represent an idea for development of a model for epitope.  It is also explains the immunological aspects and algorithms applied for epitope selection, with their practical problems.  Current techniques used to model the native state conformation of epitopes are then described with their fundamental problems.  So, the algorithms to validate such models are discussed.  Techniques to screen effective potent drugs against the target epitopes are then considered.
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Background

Quantitative Structure Activity Relationship (QSAR) model(s) and/or docking stimulations are often used in screening such dedicated compound libraries (Anderson, & Wright, 2005). De novo drug designing employs computational algorithms to harmonize target protein binding site structurally & energetically for the selected drug molecule (Mauser, & Guba, 2008). Successful de novo design aims at effective drug structures that have high binding affinity against their target protein’s docking sites. Such an approach is extremely successful when genetic and investigational data of drugs and target proteins are available. Two major approaches behind development of such tools are the following.

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