Rational Drug Design

Methods and Protocols
2012
ISBN: 978-1-62703-007-6
Verlag: Humana Press

Buch, Englisch, Band 928, 230 Seiten, Format (B × H): 183 mm x 260 mm, Gewicht: 663 g

Reihe: Methods in Molecular Biology

Over the past  three decades there have been new developments in therapeutic drug design. In Rational Drug Design: Methods and Protocols,  expert researchers in the field detail many of the methodologies used to study rational drug design. These include methods such as virtual screening of chemical hits, rational lead discovery by high throughput screening, combinatorial and fragment based lead generation, peptide based drug discovery, and animal models of lead validation. Written in the highly successful Methods in Molecular Biology™ series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls.

 

Authoritative and practical, Rational Drug Design: Methods and Protocols seeks to aid scientists in the further study of rational drug design and future drug discovery.

Zielgruppe

Professional/practitioner

Autoren/Hrsg.

Zheng, Yi

Fachgebiete

• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Medizinische Fachgebiete Pharmakologie, Toxikologie
• Naturwissenschaften Chemie Chemie Allgemein Pharmazeutische Chemie, Medizinische Chemie
• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Vorklinische Medizin: Grundlagenfächer Molekulare Medizin, Zellbiologie
• Naturwissenschaften Biowissenschaften Molekularbiologie
• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Pharmazie

Inhaltsverzeichnis

1. On Setting up and Assessing Docking Simulations for Virtual Screening
Jacek Biesiada, Aleksey Porollo, Jaroslaw Meller
 
2. Virtual Ligand Screening Combined with NMR to Identify Dvl PDZ Domain Inhibitors Targeting the Wnt Signaling
Jufang Shan and Jie J. Zheng
 
3. Rational Design of Rho GTPase Targeting Inhibitors
Xun Shang and Yi Zheng
 4. Rational Design of Peptide Ligands Against a Glycolipid by NMR StudiesWenyong Tong, Tara Sprules, Kalle Gehring, H. Uri Saragovi
 
5. A Combinatorial Strategy for the Acquisition of Potent and Specific Protein Tyrosine Phosphatase Inhibitors
Sheng Zhang, Lan Chen, David S. Lawrence and Zhong-Yin Zhang
 
6. Identification of Allosteric Inhibitors of p21-Activated Kinase
Julien Viaud and Jeffrey R. Peterson
 7. Using a Modified Yeast Two-hybrid System to Screen for Chemical GEF InhibitorsAnne Blangy and Philippe Fort. 
8. Random Mutagenesis of Peptide Aptamers As An Optimization Strategy for Inhibitor Screening
Nathalie Bouquier, Sylvie Fromont, Anne Debant and Susanne Schmidt
 
9. A Screening Strategy for Trapping the Inactive Conformer of a Dimeric Enzyme with a Small Molecule Inhibitor
Tina Shahian and Charles S. Craik
 
10. Use of a Fluorescent ATP Analog to Probe the Allosteric Conformational Change in the Active Site of the Protein Kinase PDK1
Valerie Hindie, Laura A. Lopez-Garcia, and Ricardo M. Biondi
 11. Affinity Purification of Protein Kinases that Adopt a Specific Inactive ConformationPratistha Ranjitkar and Dustin J. Maly 12. Determination of the Kinetics and Thermodynamics of Ligand Binding to a Specific Inactive Conformation in Protein KinasesSanjay B. Hari, Pratistha Ranjitkar and Dustin J. Maly 
13. Purification and Specific Assays for Measuring APE-1 Endonuclease Activity
Adrian Esqueda, Mohammed Z Mohammed, Srinivasan Madhusudan, and Nouri Neamati
 
14. An in vitro Screening to Identify Drug Resistant Mutations for Target-directed Chemotherapeutic Agents
Mohammad Azam
 
15. Utilizing AntagomiR (anti-sense microRNA) to Knock Down microRNA in Murine Bone Marrow Cells
Chinavenmeni S. Velu and H. Leighton Grimes
 
16. Synthesis, Conjugation, and Labeling of Multifunctional pRNA Nanoparticles for Specific Delivery of siRNA, Drugs and Other Therapeutics to Target Cells
Mathieu Cinier, Yi Shu, Daniel Binzel, and Peixuan Guo
 
17. Mouse Models for Tumor Metastasis
Shengyu Yang,  J. Jillian Zhang, and Xin-Yun Huang1. On Setting up and Assessing Docking simulations for Virtual Screening
Jacek Biesiada, Aleksey Porollo, Jaroslaw Meller
 
2. Virtual Ligand Screening Combined with NMR to Identify Dvl PDZ Domain Inhibitors Targeting the Wnt Signaling
Jufang Shan and Jie J. Zheng
 
3. Rational Design of Rho GTPase Targeting Inhibitors
Xun Shang and Yi Zheng
 4. Rational Design of Peptide Ligands Against a Glycolipid by NMR StudiesWenyong Tong, Tara Sprules, Kalle Gehring, H. Uri Saragovi
 
5. A Combinatorial Strategy for the Acquisition of Potent and Specific Protein Tyrosine Phosphatase Inhibitors
Sheng Zhang, Lan Chen, David S. Lawrence and Zhong-Yin Zhang
 
6. Identification of Allosteric Inhibitors of p21-Activated Kinase
Julien Viaud and Jeffrey R. Peterson
 7. Using a Modified Yeast Two-hybrid System to Screen for Chemical GEF InhibitorsAnne Blangy and Philippe Fort. 
8. Random Mutagenesis of Peptide Aptamers As An Optimization Strategy for Inhibitor Screening
Nathalie Bouquier, Sylvie Fromont, Anne Debant and Susanne Schmidt
 
9. A Screening Strategy for Trapping the Inactive Conformer of a Dimeric Enzyme with a Small Molecule Inhibitor
Tina Shahian and Charles S. Craik
 
10. Use of a Fluorescent ATP Analog to Probe the Allosteric Conformational Change in the Active Site of the Protein Kinase PDK1
Valerie Hindie, Laura A. Lopez-Garcia, and Ricardo M. Biondi
 11. Affinity Purification of Protein Kinases that Adopt a Specific Inactive ConformationPratistha Ranjitkar and Dustin J. Maly 12. Determination of the Kineti