LEADER 05475nam 2200661 450 001 9910817249603321 005 20200520144314.0 010 $a3-527-66523-4 010 $a3-527-66521-8 010 $a3-527-66524-2 035 $a(CKB)3710000000202706 035 $a(EBL)1744759 035 $a(SSID)ssj0001353448 035 $a(PQKBManifestationID)12507327 035 $a(PQKBTitleCode)TC0001353448 035 $a(PQKBWorkID)11315520 035 $a(PQKB)10562333 035 $a(MiAaPQ)EBC1744759 035 $a(Au-PeEL)EBL1744759 035 $a(CaPaEBR)ebr10901883 035 $a(OCoLC)884646529 035 $a(PPN)190251387 035 $a(EXLCZ)993710000000202706 100 $a20140814h20142014 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aStructure-based design of drugs and other bioactive molecules $etools and strategies /$fArun K. Ghosh and Sandra Gemma 210 1$aWeinheim, Germany :$cWiley-VCH,$d2014. 210 4$dİ2014 215 $a1 online resource (476 p.) 300 $aDescription based upon print version of record. 311 $a3-527-33365-7 320 $aIncludes bibliographical references at the end of each chapters and index. 327 $aStructure-based Design of Drugs and Other Bioactive Molecules: Tools and Strategies; Contents; Preface; 1 From Traditional Medicine to Modern Drugs: Historical Perspective of Structure-Based Drug Design; 1.1 Introduction; 1.2 Drug Discovery During 1928-1980; 1.3 The Beginning of Structure-Based Drug Design; 1.4 Conclusions; References; Part One: Concepts, Tools, Ligands, and Scaffolds for Structure-Based Design of Inhibitors; 2 Design of Inhibitors of Aspartic Acid Proteases; 2.1 Introduction; 2.2 Design of Peptidomimetic Inhibitors of Aspartic Acid Proteases 327 $a2.3 Design of Statine-Based Inhibitors2.4 Design of Hydroxyethylene Isostere-Based Inhibitors; 2.5 Design of Inhibitors with Hydroxyethylamine Isosteres; 2.5.1 Synthesis of Optically Active ?-Aminoalkyl Epoxide; 2.6 Design of (Hydroxyethyl)urea-Based Inhibitors; 2.7 (Hydroxyethyl)sulfonamide-Based Inhibitors; 2.8 Design of Heterocyclic/Nonpeptidomimetic Aspartic Acid Protease Inhibitors; 2.8.1 Hydroxycoumarin- and Hydroxypyrone-Based Inhibitors; 2.8.2 Design of Substituted Piperidine-Based Inhibitors; 2.8.3 Design of Diaminopyrimidine-Based Inhibitors 327 $a2.8.4 Design of Acyl Guanidine-Based Inhibitors2.8.5 Design of Aminopyridine-Based Inhibitors; 2.8.6 Design of Aminoimidazole- and Aminohydantoin-Based Inhibitors; 2.9 Conclusions; References; 3 Design of Serine Protease Inhibitors; 3.1 Introduction; 3.2 Catalytic Mechanism of Serine Protease; 3.3 Types of Serine Protease Inhibitors; 3.4 Halomethyl Ketone-Based Inhibitors; 3.5 Diphenyl Phosphonate-Based Inhibitors; 3.6 Trifluoromethyl Ketone Based Inhibitors; 3.6.1 Synthesis of Trifluoromethyl Ketones; 3.7 Peptidyl Boronic Acid-Based Inhibitors 327 $a3.7.1 Synthesis of ?-Aminoalkyl Boronic Acid Derivatives3.8 Peptidyl ?-Ketoamide- and ?-Ketoheterocycle-Based Inhibitors; 3.8.1 Synthesis of ?-Ketoamide and ?-Ketoheterocyclic Templates; 3.9 Design of Serine Protease Inhibitors Based Upon Heterocycles; 3.9.1 Isocoumarin-Derived Irreversible Inhibitors; 3.9.2 ?-Lactam-Derived Irreversible Inhibitors; 3.10 Reversible/Noncovalent Inhibitors; 3.11 Conclusions; References; 4 Design of Proteasome Inhibitors; 4.1 Introduction; 4.2 Catalytic Mechanism of 20S Proteasome; 4.3 Proteasome Inhibitors; 4.3.1 Development of Boronate Proteasome Inhibitors 327 $a4.3.2 Development of ?-Lactone Natural Product-Based Proteasome Inhibitors4.3.3 Development of Epoxy Ketone-Derived Inhibitors; 4.3.4 Noncovalent Proteasome Inhibitors; 4.4 Synthesis of ?-Lactone Scaffold; 4.5 Synthesis of Epoxy Ketone Scaffold; 4.6 Conclusions; References; 5 Design of Cysteine Protease Inhibitors; 5.1 Introduction; 5.2 Development of Cysteine Protease Inhibitors with Michael Acceptors; 5.3 Design of Noncovalent Cysteine Protease Inhibitors; 5.4 Conclusions; References; 6 Design of Metalloprotease Inhibitors; 6.1 Introduction; 6.2 Design of Matrix Metalloprotease Inhibitors 327 $a6.3 Design of Inhibitors of Tumor Necrosis Factor-?-Converting Enzymes 330 $aIn contrast to previous texts focusing on either computational, structural or synthetic methods, this one-of-a-kind guide integrates all three skill sets for a complete picture of contemporary structure-based design.As a result, this practical book demonstrates how to develop a high-affinity ligand with drug-like properties for any given drug target for which a high-resolution structure exists. The authors, both of whom have successfully designed drug-like molecules that were later developed into marketed drugs, use numerous examples of recently developed drugs to present best practice in 606 $aDrug development$xData processing 606 $aBioactive compounds$xAnalysis 606 $aBiopolymers$vIdentification 615 0$aDrug development$xData processing. 615 0$aBioactive compounds$xAnalysis. 615 0$aBiopolymers 676 $a615.190285 700 $aGhosh$b Arun K.$01636192 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910817249603321 996 $aStructure-based design of drugs and other bioactive molecules$93977355 997 $aUNINA