Main description:

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 (TM) 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.

Contents:

1. Virtual Screening for Lead Discovery

Yat T. Tang and Garland R. Marshall

2. Computer-Aided Drug Discovery and Development

Shuxing Zhang

3. Using Active Site Mapping and Receptor-Based Pharmacophore Tools: Prelude to Docking and De Novo/Fragment-Based Ligand Design

Ashutosh Tripathi, J. Andrew Surface, and Glen E. Kellogg

4. Methods for Evaluation of Structural and Biological Properties of Anti-Invasive Natural Products

Mudit Mudit, Mohammad Khanfar, Girish V. Shah, and Khalid A. El Sayed

5. Solid-Phase Peptide Synthesis Using Microwave Irradiation

Justin K. Murray, Jennifer Aral, and Les P. Miranda

6. Fluorescent and Lanthanide Labeling for Ligand Screens, Assays, and Imaging

Jatinder S. Josan, Channa R. De Silva, Byunghee Yoo, Ronald M. Lynch, Mark D. Pagel, Josef Vagner, and Victor J. Hruby

7. DNA-Directed Assembly Microarray for Protein and Small Molecule Inhibitor Screening

Ng Jin Kiat, Fritz Simeon, Too Heng Phon, and Parayil Kumaran Ajikumar

8. Selection of Peptide Ligands for Human Placental Transcytosis Systems Using In vitro Phage Display

Saleem Basha, Shruthi Vaidhyanathan, and Giovanni M. Pauletti

9. Optimization of the Tetrazolium Dye (MTT) Colorimetric Assay for Cellular Growth and Viability

Paul W. Sylvester

10. Imaging NF- B Signaling in Mice for Screening Anti-Cancer Drugs

Delira Robbins and Yunfeng Zhao

11. Evaluation of Anticancer Agents Using Flow Cytometry Analysis of Cancer Stem Cells

Vineet Gupta, Qian-Jin Zhang, and Yong-Yu Liu

12. Chemical Screening with Zebrafish Embryos

Hanbing Zhong and Shuo Lin

13. iTRAQTM Labeling Coupled with LC-MALDI Mass Spectrometry for Monitoring Temporal Response of Colorectal Cancer Cells to Butyrate Treatment

Hwee Tong Tan, Teck Kwang Lim, Maxey C.M. Chung, and Qingsong Lin

14. Heterotypic Cell Adhesion Assay for the Study of Cell Adhesion Inhibition

Seetharama D. Satyanarayanajois, Sharon Ronald, and Jining Liu

15. Evaluation of Antibacterial Activity of Proteins and Peptides Using a Specific Animal Model for Wound Healing

Ramar Perumal Samy, Maung Maung Thwin, Vincent T.K.Chow, Ho Bow, and Ponnampalam Gopalakrishnakone

16. In vitro Immunogenicity Risk Assessment of Therapeutic Proteins in Preclinical Setting

Puneet Gaitonde and Sathy V. Balu-Iyer