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An expertly curated collection of up-to-date resources covering metalloenzyme-targeting drug discovery Drug Discovery Targeting Metalloenzymes: Strategies and Applications (2 Volume Set) is an extensive collection of papers discussing the latest developments in the field of metalloenzyme-targeting drug discovery. The editor has curated some of the most cutting-edge explorations of metalloenzymes and the drug discovery applications animating discussion in the area today. The included resources examine informatics, tools, computational modeling advancements, high-throughput virtual screening techniques, and other practical, boundary-pushing topics. This curated compilation of resources explores the challenges associated with developing drugs that specifically target metalloenzymes, as well as the strategies professionals use to overcome them. It includes illustrative case studies that showcase successful drug discovery efforts, examinations of emerging trends in metalloenzyme-targeted therapies in the field of precision medicine, and experimental approaches to the study and discovery of drugs in this area. Inside the book: Thorough introductions to metalloenzyme informatics and drug designComprehensive explorations of viral metalloenzyme-targeting drug discoveryPractical discussions of autotaxin targeting for therapeutic interventionComplete treatments of substrate and inhibitor discovery of human glutaminyl cyclasesPerfect for pharmaceutical chemists, biochemists, theoretical chemists, and medicinal chemists, the papers contained in the two volumes of Drug Discovery Targeting Metalloenzymes: Strategies and Applications will also benefit pharmaceutical engineers, biologists, and professionals in the pharmaceutical industry.
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 li2 Metal-Binding Pharmacophores in Metalloenzyme Drug Discovery 25Lilia M. Baldauf, Emily A. Podd, and Seth M. Cohen3 Modeling Metalloenzyme Catalytic Mechanisms by QM/MM Calculations 61Zhe Li and Ruibo Wu4 Experimental Strategies in Metalloenzyme Mechanism Study and Drug Discovery 119Si-Qi Wei, Zi-Yang Chen, and Guo-Bo li5 Targeting Metalloenzymes by Metallo-Drugs 151Cheng Chen, Kewu Yang, Hongyan Li, and Hongzhe Sun6 Targeting Metallo-β-Lactamases to Combat Antibiotic Resistance 171Mitchell A. Jeffs, Montserrat Mora-Ochomogo, Laila Masalha, Dylan W. Zhao, and Christopher T. Lohans7 Targeting Disease-Linked Metalloenzymes Involved in RNA Metabolism 213Simranjeet Kaur and Wei Shen Aik8 Cyclic Nucleotide Phosphodiesterases: Important Therapeutic Targets 269Deyan Wu, Shuheng Huang, and Hai-Bin Luo9 HDAC: A Rising Star in Cancer Therapy 291Tao Liang, Hao Fang, and Xuben HouVolume 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 475YueWuandXiaojinZhang15 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