Bioinformatics Techniques for Drug Discovery

Description

The application of bioinformatics approaches in drug design involves an interdisciplinary array of sophisticated techniques and software tools to elucidate hidden or complex biological data. This work reviews the latest bioinformatics approaches used for drug discovery. The text covers ligand-based and structure-based approaches for computer-aided drug design, 3D pharmacophore modeling, molecular dynamics simulation, the thermodynamics of ligand−receptor and ligand−enzyme association, thermodynamic characterization and optimization, and techniques for computational genomics and proteomics. Front Matter ....Pages i-xi Brief Introduction (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 1-10 Ligand-Based Approach for In-silico Drug Designing (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 11-19 Structure-Based Approach for In-silico Drug Designing (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 21-25 Three-Dimensional (3D) Pharmacophore Modelling-Based Drug Designing by Computational Technique (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 27-31 Molecular Dynamics Simulation Approach to Investigate Dynamic Behaviour of System Through the Application of Newtonian Mechanics (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 33-36 Receptor Thermodynamics of Ligand–Receptor or Ligand–Enzyme Association (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 37-42 Thermodynamic Cycles and Their Application in Protein Targets (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 43-46 Genomics and Proteomics Using Computational Biology (Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi)....Pages 47-57