Drug Discovery Targeting Metalloenzymes, 2 Volume Set

Guo-Bo Li is a Professor in the Department of Medicinal Chemistry at Sichuan University, China. His research focuses on the developing new methods that advance scientific and drug discovery techniques, particularly in the discovery of new agents targeting metalloenzymes.

• Volume 1Preface xiii1 Metalloenzyme Informatics and Drug Design 1Jun-Lin Yu, Xiao-Tian Huang, Dao-Xing Chen, Cong Zhou, Yao-Gen Wang, and Guo-Bo Li1.1 Introduction 11.2 Metalloenzyme Informatics 21.3 Computational Tools for Metalloenzyme Drug Design 131.4 Metalloenzyme-Disease Association 181.5 Concluding Remarks 202 Metal-Binding Pharmacophores in Metalloenzyme Drug Discovery 25Lilia M. Baldauf, Emily A. Podd, and Seth M. Cohen2.1 Introduction 252.2 MBP Databases and MBP Trends 272.3 Recent Advancements in MBP Development 342.4 Metal-Binding Isosteres (MBIs) 413 Modeling Metalloenzyme Catalytic Mechanisms by QM/MM Calculations 61Zhe Li and Ruibo Wu3.1 Introduction 613.2 The QM/MM Method 633.3 Application of the QM/MM Methods in Metalloenzymes 803.4 Summary 1064 Experimental Strategies in Metalloenzyme Mechanism Study and Drug Discovery 119Si-Qi Wei, Zi-Yang Chen, and Guo-Bo Li4.1 Introduction 1194.2 Metalloenzyme Catalysis Mechanism 1204.3 Metalloenzyme Inhibition Mechanism 1274.4 Metalloenzyme Inhibitor Selectivity by Thermal Proteome Profiling 1424.5 Concluding Remarks 1465 Targeting Metalloenzymes by Metallo-Drugs 151Cheng Chen, Kewu Yang, Hongyan Li, and Hongzhe Sun5.1 Introduction 1515.2 Mechanisms of Bacterial Resistance Mediated by Metalloenzymes 1535.3 Metallo-drugs/Metallo-agents: Targeting Metalloenzymes Against Superbugs 1565.4 Conclusion and Perspectives 1646 Targeting Metallo-Β-Lactamases to Combat Antibiotic Resistance 171Mitchell A. Jeffs, Montserrat Mora-Ochomogo, Laila Masalha, Dylan W. Zhao, and Christopher T. Lohans6.1 Introduction 1716.2 Metallo-β-Lactamase Structure and Evolution 1746.3 Clinical Impact of MBLs 1776.4 Recent Advances in the Development of Therapeutics to Target MBL-Producing Pathogens 1826.5 Concluding Remarks 1927 Targeting Disease-Linked Metalloenzymes Involved in RNA Metabolism 213Simranjeet Kaur and Wei Shen Aik7.1 Background 2137.2 Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in Epitransciptomic Regulation of RNA Metabolism 2147.3 Fat Mass and Obesity Associated Protein (FTO) 2147.4 Generic 2OG Mimetic Inhibitors, Metal Ion Chelators 2197.5 Endogenous TCA Metabolites as Inhibitors 2207.6 High Throughput Virtual Screening for Inhibitor Development 2217.7 Structure-Based Rational Inhibitor Design 2247.8 Benzene-1,3-Diol Derivatives 2307.9 AlkB Human Homologue 5 (ALKBH5) 2317.10 ALKBH5 Inhibition 2347.11 AlkB Human Homologue 3 (ALKBH3) 2477.12 Zn2+-Dependent RNA Editing Enzymes 2497.13 Crystal Structure of Human CPSF73 2567.14 Active Site Architecture 2567.15 Assembly of the 3′ Processing Machinery Activates the CPSF73 Endonuclease 2577.16 CPSF73 Inhibition in Cancer 2587.17 CPSF73 Inhibition in Parasitic Infections 2597.18 Conclusion and Perspectives 2608 Cyclic Nucleotide Phosphodiesterases: Important Therapeutic Targets 269Deyan Wu, Shuheng Huang, and Hai-Bin Luo8.1 Introduction 2698.2 Phosphodiesterases (PDEs) 2698.3 PDEs Inhibitor Discovery 2738.4 Concluding Remarks and Future Perspectives 2849 HDAC: A Rising Star in Cancer Therapy 291Tao Liang, Hao Fang, and Xuben Hou9.1 Introduction 2919.2 HDACs 2919.3 The Roles of HDACs in Cancer 2999.4 HDAC Inhibitors 3039.5 The Trends of Next-Generation HDAC Inhibitors 3089.6 Concluding Remarks and Future Perspectives 313Glossary 314References 315Volume 2Preface xiii10 Drug Discovery Targeting Viral Metalloenzymes 327Baohu Li, Hui Xu, Jiahui Zhou, Kai Tang, Xinyong Liu, Jinfei Yang, and Peng Zhan11 Drug Discovery Targeting Carbonic Anhydrase 371Weina Zhong, Xueying Li, Wenli Zhang, and Wukun Liu12 Targeting Autotaxin for Therapeutic Intervention 395Yangyang Chen, Maolin Duan, Jifa Zhang, and Liang Ouyang13 Targeting ENPP1 for Therapeutic Intervention 425Yuyan Han, Yaoliang Sun, and Shilin Xu14 Drug Discovery Targeting Oxygen-Sensing Hypoxia-Inducible Factor Prolyl Hydroxylases 475Yue Wu and Xiaojin Zhang15 Hijacking Histone Demethylase KDM5B for Novel Therapeutics 507Wen-Long Wang, Guan-Jun Yang, and Bin Yu16 Advances and Future Directions in Small-Molecule LpxC Inhibitors Targeting Gram-Negative Bacteria 535Yue Liu and You-Cai Xiao17 Substrate and Inhibitor Discovery of Human Glutaminyl Cyclases 563Jun Mou, Xiang-Min Dong, Jing-Wei Wu, Ling-Ling Yang, and Guo-Bo Li18 Drug Discovery Targeting Tryptophan/Indoleamine 2,3-Dioxygenase 591Xiang-Li Ning, Lin Ma, and Guo-Bo LiIndex 643