Clic para leer

Accés lliure (ARCA)

Tabla de Contenidos: “…Cover -- Half-Title Page -- Series Page -- Title Page -- Copyright Page -- Contents -- Preface -- 1 Bioinfomatics as a Tool in Drug Designing -- 1.1 Introduction -- 1.2 Steps Involved in Drug Designing -- 1.2.1 Identification of the Target Protein/Enzyme -- 1.2.2 Detection of Molecular Site (Active Site) in the Target Protein -- 1.2.3 Molecular Modeling -- 1.2.4 Virtual Screening -- 1.2.5 Molecular Docking -- 1.2.6 QSAR (Quantitative Structure-Activity Relationship) -- 1.2.7 Pharmacophore Modeling -- 1.2.8 Solubility of Molecule -- 1.2.9 Molecular Dynamic Simulation -- 1.2.10 ADME Prediction -- 1.3 Various Softwares Used in the Steps of Drug Designing -- 1.4 Applications -- 1.5 Conclusion -- References -- 2 New Strategies in Drug Discovery -- 2.1 Introduction -- 2.2 Road Toward Advancement -- 2.3 Methodology -- 2.3.1 Target Identification -- 2.3.2 Docking-Based Virtual Screening -- 2.3.3 Conformation Sampling -- 2.3.4 Scoring Function -- 2.3.5 Molecular Similarity Methods -- 2.3.6 Virtual Library Construction -- 2.3.7 Sequence-Based Drug Design -- 2.4 Role of OMICS Technology -- 2.5 High-Throughput Screening and Its Tools -- 2.6 Chemoinformatic -- 2.6.1 Exploratory Data Analysis -- 2.6.2 Example Discovery -- 2.6.3 Pattern Explanation -- 2.6.4 New Technologies -- 2.7 Concluding Remarks and Future Prospects -- References -- 3 Role of Bioinformatics in Early Drug Discovery: An Overview and Perspective -- 3.1 Introduction -- 3.2 Bioinformatics and Drug Discovery -- 3.2.1 Structure-Based Drug Design (SBDD) -- 3.2.2 Ligand-Based Drug Design (LBDD) -- 3.3 Bioinformatics Tools in Early Drug Discovery -- 3.3.1 Possible Biological Activity Prediction Tools -- 3.3.2 Possible Physicochemical and Drug-Likeness Properties Verification Tools -- 3.3.3 Possible Toxicity and ADME/T Profile Prediction Tools -- 3.4 Future Directions With Bioinformatics Tool…”