STRUCTURE-BASED MODELING OF GPCRs DETERMINATION OF PROTEIN-PROTEIN INTERACTIONS SITES COMPUTATIONAL-BASED PROTEIN DESIGN HIT AND LEAD OPTIMIZATION ACCOUNTING FOR RECEPTOR FLEXIBILITY IN LIGAND BINDING CHALLENGES OF DOCKING AND SCREENING EXPERIMENTAL APPROACHES CASE STUDIES
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Cambridge Healthtech Institute 250 First Avenue, Suite 300, Needham, Massachusetts 02494 • T: 781-972-5400 or Toll-free in the U.S. 888-999-6288 • F: 781-972-5425 • www.healthtech.com Lead Sponsoring Publications: Premier Sponsor: Executive Sponsor: AILERON Therapeutics ARIAD Pharmaceuticals Inc. AstraZeneca R&D Mölndal Bristol-Myers Squibb California Institute of Technology Centocor Research and Development Chemical Computing Group Inc. Columbia University EPIX Pharmaceuticals Elan Pharmaceuticals Harvard Medical School Locus Pharmaceuticals Lundbeck Research (Denmark) Merck Research Laboratories National Center for Scientifi c Research (CNRS) NIH, NIDDK Novartis OSI Pharmaceuticals Pfi zer Global Research and Development Schrodinger, Inc. SGX Pharmaceuticals SimBioSys University of York Vernalis Presentations By:
منابع مشابه
Novel Small Molecules against Two Binding Sites of Wnt2 Protein as potential Drug Candidates for Colorectal Cancer: A Structure Based Virtual Screening Approach
Wnts are the major ligands responsible for activating Wnt signaling pathway through binding to Frizzled proteins (Fzd) as the receptors. Among these ligands, Wnt2 plays the main role in the tumorigenesis of several human cancers especially colorectal cancer (CRC). Therefore, it can be considered as a potential drug target.The aim of this study was to identify potential drug candidates ...
متن کاملNovel Small Molecules against Two Binding Sites of Wnt2 Protein as potential Drug Candidates for Colorectal Cancer: A Structure Based Virtual Screening Approach
Wnts are the major ligands responsible for activating Wnt signaling pathway through binding to Frizzled proteins (Fzd) as the receptors. Among these ligands, Wnt2 plays the main role in the tumorigenesis of several human cancers especially colorectal cancer (CRC). Therefore, it can be considered as a potential drug target.The aim of this study was to identify potential drug candidates ...
متن کاملDiscovery of Novel Glucagon Receptor Antagonists Using Combined Pharmacophore Modeling and Docking
Glucagon and the glucagon receptor are most important molecules control over blood glucose concentrations. These two molecules are very important to studies of type 2 diabetic patients. In literature, several classes of small molecule antagonists of the human glucagon receptor have been reported. Glucagon receptor antagonist could decrease hepatic glucose output and improve glucose control in d...
متن کاملDiscovery of Novel Glucagon Receptor Antagonists Using Combined Pharmacophore Modeling and Docking
Glucagon and the glucagon receptor are most important molecules control over blood glucose concentrations. These two molecules are very important to studies of type 2 diabetic patients. In literature, several classes of small molecule antagonists of the human glucagon receptor have been reported. Glucagon receptor antagonist could decrease hepatic glucose output and improve glucose control in d...
متن کاملLimits of Ligand Selectivity from Docking to Models: In Silico Screening for A1 Adenosine Receptor Antagonists
G protein-coupled receptors (GPCRs) are attractive targets for pharmaceutical research. With the recent determination of several GPCR X-ray structures, the applicability of structure-based computational methods for ligand identification, such as docking, has increased. Yet, as only about 1% of GPCRs have a known structure, receptor homology modeling remains necessary. In order to investigate th...
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