Rational Drug Design

On Setting up and Assessing Docking simulations for Virtual Screening.-Virtual Ligand Screening Combined with NMR to Identify Dvl PDZ Domain Inhibitors Targeting the Wnt Signaling.-Rational Design of Rho GTPase Targeting Inhibitors.-Rational Design of Peptide Ligands Against a Glycolipid by NMR Studies.-A Combinatorial Strategy for the Acquisition of Potent and Specific Protein Tyrosine Phosphatase Inhibitors.-Identification of Allosteric Inhibitors of p21-Activated Kinase.-Using a Modified Yeast Two-hybrid System to Screen for Chemical GEF Inhibitors.-Random Mutagenesis of Peptide Aptamers As An Optimization Strategy for Inhibitor Screening.-A Screening Strategy for Trapping the Inactive Conformer of a Dimeric Enzyme with a Small Molecule Inhibitor.-Use of a Fluorescent ATP Analog to Probe the Allosteric Conformational Change in the Active Site of the Protein Kinase PDK1.-Affinity Purification of Protein Kinases that Adopt a Specific Inactive Conformation.-Determination of the Kinetics and Thermodynamics of Ligand Binding to a Specific Inactive Conformation in Protein Kinases.-Purification and Specific Assays for Measuring APE-1 Endonuclease Activity.-An in vitro Screening to Identify Drug Resistant Mutations for Target-directed Chemotherapeutic Agents.-Utilizing AntagomiR (anti-sense microRNA) to Knock Down microRNA in Murine Bone Marrow Cells.-Synthesis, Conjugation, and Labeling of Multifunctional pRNA Nanoparticles for Specific Delivery of siRNA, Drugs and Other Therapeutics to Target Cells.-Mouse Models for Tumor Metastasis.Rational Design of Peptide Ligands Against a Glycolipid by NMR Studies.-A Combinatorial Strategy for the Acquisition of Potent and Specific Protein Tyrosine Phosphatase Inhibitors.-Identification of Allosteric Inhibitors of p21-Activated Kinase.-Using a Modified Yeast Two-hybrid System to Screen for Chemical GEF Inhibitors.-Random Mutagenesis of Peptide Aptamers As An Optimization Strategy for Inhibitor Screening.-A Screening Strategy for Trapping the Inactive Conformer of a Dimeric Enzyme with a Small Molecule Inhibitor.-Use of a Fluorescent ATP Analog to Probe the Allosteric Conformational Change in the Active Site of the Protein Kinase PDK1.-Affinity Purification of Protein Kinases that Adopt a Specific Inactive Conformation.-Determination of the Kinetics and Thermodynamics of Ligand Binding to a Specific Inactive Conformation in Protein Kinases.-Purification and Specific Assays for Measuring APE-1 Endonuclease Activity.-An in vitro Screening to Identify Drug Resistant Mutations for Target-directed Chemotherapeutic Agents.-Utilizing AntagomiR (anti-sense microRNA) to Knock Down microRNA in Murine Bone Marrow Cells.-Synthesis, Conjugation, and Labeling of Multifunctional pRNA Nanoparticles for Specific Delivery of siRNA, Drugs and Other Therapeutics to Target Cells.-Mouse Models for Tumor Metastasis.