000725932 000__ 05048cam\a2200541Ii\4500 000725932 001__ 725932 000725932 005__ 20230306140704.0 000725932 006__ m\\\\\o\\d\\\\\\\\ 000725932 007__ cr\cn\nnnunnun 000725932 008__ 150305s2015\\\\ne\a\\\\o\\\\\100\0\eng\d 000725932 020__ $$a9789401797191$$qelectronic book 000725932 020__ $$a9401797196$$qelectronic book 000725932 020__ $$z9789401797184 000725932 020__ $$z9789401797245 000725932 0247_ $$a10.1007/978-94-017-9719-1$$2doi 000725932 035__ $$aSP(OCoLC)ocn904401322 000725932 035__ $$aSP(OCoLC)904401322 000725932 040__ $$aGW5XE$$beng$$erda$$epn$$cGW5XE$$dDKU$$dUPM$$dBTCTA$$dCOO$$dYDXCP$$dOCLCF$$dOCLCO 000725932 049__ $$aISEA 000725932 050_4 $$aRS420 000725932 08204 $$a615.1/9$$223 000725932 1112_ $$aNATO Advanced Study Institute on Crystallography in Drug Discovery: a Tool Against CBRN Agents$$d(2014 :$$cErice, Italy) 000725932 24510 $$aMultifaceted roles of crystallography in modern drug discovery$$h[electronic resource] /$$cedited by Giovanna Scapin, Disha Patel, Eddy Arnold. 000725932 264_1 $$aDordrecht, The Netherlands :$$bSpringer,$$c2015. 000725932 300__ $$a1 online resource (xi, 240 pages) :$$billustrations (some color). 000725932 336__ $$atext$$btxt$$2rdacontent 000725932 337__ $$acomputer$$bc$$2rdamedia 000725932 338__ $$aonline resource$$bcr$$2rdacarrier 000725932 4901_ $$aNATO Science for Peace and Security, Series A, Chemistry and Biology,$$x1874-6489 000725932 500__ $$a"Proceedings of the NATO Advanced Study Institute on Crystallography in Drug Discovery: a Tool against CBRN Agents, Erice, Italy, 30 May-8 June, 2014." 000725932 5050_ $$aPreface -- List of Contributors -- Engineering G Protein-Coupled Receptors for Drug Design -- Structural Insights into Activation and Allosteric Modulation of G Protein-Coupled Receptors -- Epigenetic Drug Discovery -- Crystallography and Biopharmaceuticals -- Structural Chemistry and Molecular Modeling in the Design of DPP4 Inhibitors -- Considerations for Structure-Based Drug Design Targeting HIV-1 Reverse Transcriptase.-Protein-Ligand Interactions as the Basis for Drug Action -- The Protein Data Bank: Overview and Tools for Drug Discovery -- Small Molecule Crystal Structures in Drug Discovery -- Protein Aggregation and its Prediction -- Importance of Protonation States for the Binding of Ligands to Pharmaceutical Targets -- Protein-Protein Interactions: Structures and Druggability -- Achieving High Quality Ligand Chemistry in Protein-Ligand Crystal Structures for Drug Design -- Molecular Obesity, Potency and Other Addictions in Drug Discovery -- Adventures in Small Molecule Fragment Screening by X-ray Crystallography for Drug Discovery -- Structure-Based Drug Design to Perturb Function of a tRNA-Modifying Enzyme by Active Site and Protein-Protein Interface Inhibition -- Molecular Interaction Analysis for Discovery of Drugs Targeting Enzymes and for Resolving Biological Function. 000725932 506__ $$aAccess limited to authorized users. 000725932 520__ $$aThe present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug discovery and the application of concepts such as molecular geometry, conformation, and flexibility to drug design; methodologies for understanding and characterizing protein states and protein-ligand interactions during the drug design process; and monoclonal antibody therapies. These methods are illustrated through their application to problems of medical and biological significance, such as viral and bacterial infections, diabetes, autoimmune disease, and CNS diseases. As approaches to drug discovery have changed over time, so have the methodologies used to solve the varied, new, and difficult problems encountered in drug discovery. In recent years we have seen great progress in the fields of genetics, biology, chemistry, and medicine, but there are still many unmet medical needs, from bacterial infections to cancer to chronic maladies, that require novel, different, or better therapies. This work will be of interest to researchers and policy makers interested in the latest developments in drug design. 000725932 588__ $$aOnline resource; title from PDF title page (SpringerLink, viewed March 5, 2015). 000725932 650_0 $$aPharmaceutical chemistry$$vCongresses. 000725932 650_0 $$aDrugs$$xDesign$$vCongresses. 000725932 650_0 $$aDrug development$$vCongresses. 000725932 650_0 $$aCrystallography$$vCongresses. 000725932 650_0 $$aStructural bioinformatics$$vCongresses. 000725932 7001_ $$aScapin, Giovanna,$$eeditor. 000725932 7001_ $$aPatel, Disha,$$eeditor. 000725932 7001_ $$aArnold, Eddy,$$eeditor. 000725932 77608 $$iPrint version:$$z9789401797184 000725932 830_0 $$aNATO science for peace and security series.$$nSeries A,$$pChemistry and biology. 000725932 852__ $$bebk 000725932 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-94-017-9719-1$$zOnline Access$$91397441.1 000725932 909CO $$ooai:library.usi.edu:725932$$pGLOBAL_SET 000725932 980__ $$aEBOOK 000725932 980__ $$aBIB 000725932 982__ $$aEbook 000725932 983__ $$aOnline 000725932 994__ $$a92$$bISE