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Yunxiang Lu
Researcher at East China University of Science and Technology
Publications - 72
Citations - 1753
Yunxiang Lu is an academic researcher from East China University of Science and Technology. The author has contributed to research in topics: Halogen bond & Hydrogen bond. The author has an hindex of 18, co-authored 64 publications receiving 1440 citations.
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Halogen bond: its role beyond drug-target binding affinity for drug discovery and development.
TL;DR: It is suggested that albeit halogenation is a valuable approach for improving ligand bioactivity, more attention should be paid in the future to the application of the halogen bond for ligand ADME/T property optimization.
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Halogen bonding for rational drug design and new drug discovery
TL;DR: This review article covers the recent advances relevant to halogen bonding in drug discovery and biological design over the past decade, including database survey of this interaction in protein–ligand complexes, molecular mechanical investigations of halogen bonded ligands in drugiscovery and applications ofThis interaction in the development of Halogenated ligands as inhibitors and drugs for protein kinases, serine protease factor Xa, HIV reverse transcriptase and so on.
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Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors
Zhijian Xu,Zheng Liu,Tong Chen,Tiantian Chen,Zhen Wang,Guanghui Tian,Jing Shi,Xuelan Wang,Yunxiang Lu,Xiuhua Yan,Guan Wang,Hualiang Jiang,Kaixian Chen,Shudong Wang,Yechun Xu,Jingshan Shen,Weiliang Zhu +16 more
TL;DR: X-ray crystal structures verified the existence of the predicted halogen bonds, demonstrating that the halogen bond is an applicable tool in drug design and should be routinely considered in lead optimization.
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How does halogen bonding behave in solution? A theoretical study using implicit solvation model.
TL;DR: Fundamental characteristics of halogen bonding in media are established, which would be very helpful for applying this noncovalent interaction in medicinal chemistry and material design.
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Energetic effects between halogen bonds and anion-π or lone pair-π interactions: a theoretical study.
TL;DR: 1,4-diiodo-perfluorobenzene, a very effective building block for crystal engineering based on halogen bonding, is selected in this work both as electron-deficient π aromatic ring and as halogen bond donor.