Drug Design and Discovery

This volume includes work by leading experts who provide an in-depth view of key protocols used in drug discovery laboratories. It covers both classic and cutting-edge techniques and provides reproducible laboratory protocols and troubleshooting tips.

Research in the pharmaceutical sciences and medicinal chemistry has taken an important new direction in the past two decades with a focus on large molecules, especially peptides and proteins, as well as DNA therapeutics. In Drug Design and Discovery: Methods and Protocols, leading experts provide an in-depth view of key protocols that are commonly used in drug discovery laboratories. Covering both classic and cutting-edge techniques, this volume explores computational docking, quantitative structure-activity relationship (QSAR), peptide synthesis, labeling of peptides and proteins with fluorescent labels, DNA-microarray, zebrafish model for drug screening, and other analytical screening and biological assays that are routinely used during the drug discovery process. Written in the highly successful Methods in Molecular Biology™ series format, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.

Thorough and accessible, Drug Design and Discovery: Methods and Protocols serve as a vital laboratory reference for pharmaceutical chemists, medicinal chemists, and pharmacologists as well as for molecular biologists.

Explores computational, spectroscopic, analytical, purification, and molecular biology methods, as well as cellular assays Provides an in-depth view of protocols used most commonly in drug discovery laboratories Features expert tips and vital implementation advice Includes supplementary material: sn.pub/extras

Inhalt

Virtual Screening for Lead Discovery.- Computer-Aided Drug Discovery and Development.- Using Active Site Mapping and Receptor-Based Pharmacophore Tools: Prelude to Docking and De Novo/Fragment-Based Ligand Design.- Methods for Evaluation of Structural and Biological Properties of Anti-Invasive Natural Products.- Solid-Phase Peptide Synthesis Using Microwave Irradiation.- Fluorescent and Lanthanide Labeling for Ligand Screens, Assays, and Imaging.- DNA-Directed Assembly Microarray for Protein and Small Molecule Inhibitor Screening.- Selection of Peptide Ligands for Human Placental Transcytosis Systems Using In vitro Phage Display.- Optimization of the Tetrazolium Dye (MTT) Colorimetric Assay for Cellular Growth and Viability.- Imaging NF- B Signaling in Mice for Screening Anti-Cancer Drugs.- Evaluation of Anticancer Agents Using Flow Cytometry Analysis of Cancer Stem Cells.- Chemical Screening with Zebrafish Embryos.- iTRAQTM Labeling Coupled with LC-MALDI Mass Spectrometry for Monitoring Temporal Response of Colorectal Cancer Cells to Butyrate Treatment.- Heterotypic Cell Adhesion Assay for the Study of Cell Adhesion Inhibition.- Evaluation of Antibacterial Activity of Proteins and Peptides Using a Specific Animal Model for Wound Healing.- In vitro Immunogenicity Risk Assessment of Therapeutic Proteins in Preclinical Setting.