Title Rational drug design : methods and protocols / edited by Yi Zheng

Published New York : Humana Press, ©2012

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Description 1 online resource (xi, 230 pages) : illustrations (some color) Series Methods in molecular biology, 1940-6029 ; 928 Methods in molecular biology (Clifton, N.J.) ; v. 928. 1064-3745 Contents On setting up and assessing docking simulations for virtual screening / Jacek Biesiada, Aleksey Porollo, and Jaroslaw Meller -- Virtual ligand screening combined with NMR to identify Dvl PDZ domain inhibitors targeting the Wnt signaling / Jufang Shan and Jie J. Zheng -- Rational design of Rho GTPase-targeting inhibitors / Xun Shang and Yi Zheng -- Rational design of peptide ligands against a glycolipid by NMR studies / Wenyong Tong, Tara Sprules, Kalle Gehring, and H. Uri Saragovi -- Combinatorial strategy for the acquisition of potent and specific protein tyrosine phosphatase inhibitors / Sheng Zhang, Lan Chen, David S. Lawrence, and Zhong-Yin Zhang -- Identification of allosteric inhibitors of p21-activated kinase / Julien Viaud and Jeffrey R. Peterson -- Using a modified yeast two-hybrid system to screen for chemical GEF inhibitors / Anne Blangy and Philippe Fort -- Random mutagenesis of peptide aptamers as an optimization strategy for inhibitor screening / Nathalie Bouquier, Sylvie Fromont, Anne Debant, and Susanne Schmidt -- Screening strategy for trapping the inactive conformer of a dimeric enzyme with a small molecule inhibitor / Charles S. Craik and Tina Shahian -- 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 -- Affinity purification of protein kinases that adopt a specific inactive conformation / Pratistha Ranjitkar and Dustin J. Maly -- Determination of the kinetics and thermodynamics of ligand binding to a specific inactive conformation in protein kinases / Sanjay B. Hari, Pratistha Ranjitkar, and Dustin J. Maly -- Purification and specific assays for measuring APE-1 endonuclease activity / Adrian Esqueda, Mohammed Z. Mohammed, Srinivasan Madhusudan, and Nouri Neamati -- In vitro screening to identify drug-resistant mutations for target-directed chemotherapeutic agents / Mohammad Azam -- Utilizing antagomiR (antisense microRNA) to knock down microRNA in murine bone marrow cells / Chinavenmeni S. Velu and H. Leighton Grimes -- Synthesis, conjugation, and labeling of multifunctional pRNA nanoparticles for specific delivery of siRNA, drugs, and other therapeutics to target cells / Peixuan Guo, Yi Shu, Daniel Binzel, and Mathieu Cinier -- Mouse models for tumor metastasis / Shengyu Yang, J. Jillian Zhang, and Xin-Yun Huang Summary "This volume of MiMM is aimed at offering some selected examples of novel methodologies involved in the dynamic and ever-changing field of rational drug design. The readers of this methodology reference book may adopt and modify the protocols and methods described in this volume in their efforts to translate unique bench-side ideas into discovering new leads of novel or established molecular targets in human diseases. The areas covered in this volume include the following: 1. Virtual screening of chemical hits; 2. Rational lead discovery by high-throughput screening; 3. Combinatorial and fragment-based lead generation; 4. Peptide-based drug discovery; 5. Specificity and resistance; 6. Effective delivery by RNA-based approach and nanotechnology; 7. Animal models of lead validation."--Preface Analysis Medicine Biochemistry Biomedicine Pharmacology/Toxicology Medicinal Chemistry geneesmiddelen drugs nieuwe geneesmiddelen new drugs zuiveren purification farmacologie pharmacology Pharmacology Farmacologie Bibliography Includes bibliographical references and index Notes English Subject Drugs -- Design -- Methodology Drugs -- Design. Drug Design Drugs -- Design Genre/Form Laboratory manuals Laboratory manuals. Manuels de laboratoire. Form Electronic book Author Zheng, Yi. LC no. 2012943829 ISBN 9781627030083 1627030085 1627030077 9781627030076

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