(Q37998524)

26 August 2017

title

Halogen bonding for rational drug design and new drug discovery (English)

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26 August 2017

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Yunxiang Lu

1

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26 August 2017

Yingtao Liu

2

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26 August 2017

Zhijian Xu

3

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26 August 2017

Haiying Li

4

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26 August 2017

Honglai Liu

5

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26 August 2017

Weiliang Zhu

6

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26 August 2017

language of work or name

English

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publication date

30 March 2012

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Expert Opinion on Drug Discovery

26 August 2017

published in

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26 August 2017

volume

7

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26 August 2017

issue

5

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26 August 2017

page(s)

375-383

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Interactions with aromatic rings in chemical and biological recognition

26 August 2017

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Putting anion-π interactions into perspective

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Propensities of polar and aromatic amino acids in noncanonical interactions: nonbonded contacts analysis of protein-ligand complexes in crystal structures

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Halogen bonding based recognition processes: a world parallel to hydrogen bonding

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Halogen bonding in supramolecular chemistry

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Halogen bonding: a general route in anion recognition and coordination

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Chemistry. Halogen versus hydrogen

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Directing macromolecular conformation through halogen bonds

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Halogen atoms in the modern medicinal chemistry: hints for the drug design.

21 January 2018

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Evaluating the potential for halogen bonding in the oxyanion hole of ketosteroid isomerase using unnatural amino acid mutagenesis

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Halogen bonds as orthogonal molecular interactions to hydrogen bonds.

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An overview of halogen bonding

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Expansion of the sigma-hole concept

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Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors.

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The role of halogen bonding in inhibitor recognition and binding by protein kinases.

21 January 2018

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Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

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Halogen bonding in halocarbon-protein complexes: a structural survey.

21 January 2018

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Halogen bonding--a novel interaction for rational drug design?

21 January 2018

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Halogen bonding in ligand-receptor systems in the framework of classical force fields

21 January 2018

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3-iodo-4-phenoxypyridinones (IOPY's), a new family of highly potent non-nucleoside inhibitors of HIV-1 reverse transcriptase

21 January 2018

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Crystal structures for HIV-1 reverse transcriptase in complexes with three pyridinone derivatives: a new class of non-nucleoside inhibitors effective against a broad range of drug-resistant strains

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The protein kinase complement of the human genome

21 January 2018

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Protein kinases--the major drug targets of the twenty-first century?

21 January 2018

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The isoform-specific functions of the c-Jun N-terminal Kinases (JNKs): differences revealed by gene targeting.

21 January 2018

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Pharmacological inhibitors of cyclin-dependent kinases

21 January 2018

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Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole

21 January 2018

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Protein kinase CK2 in health and disease: Structural bases of protein kinase CK2 inhibition

21 January 2018

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Halogen bonds form the basis for selective P-TEFb inhibition by DRB

21 January 2018

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Specific CLK Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing

21 January 2018

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Kinase inhibition that hinges on halogen bonds

21 January 2018

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Response of a protein structure to cavity-creating mutations and its relation to the hydrophobic effect

21 January 2018

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A cavity-containing mutant of T4 lysozyme is stabilized by buried benzene

21 January 2018

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Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding

21 January 2018

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Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography.

21 January 2018

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Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2012.678829

Design, structure-activity relationships, X-ray crystal structure, and energetic contributions of a critical P1 pharmacophore: 3-chloroindole-7-yl-based factor Xa inhibitors

21 January 2018

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Evidence for C-Cl/C-Br...pi interactions as an important contribution to protein-ligand binding affinity.

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2012.678829

Systematic investigation of halogen bonding in protein-ligand interactions

21 January 2018

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Halogen bonding at the active sites of human cathepsin L and MEK1 kinase: efficient interactions in different environments

21 January 2018

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Utilization of halogen bond in lead optimization: a case study of rational design of potent phosphodiesterase type 5 (PDE5) inhibitors

21 January 2018

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Understanding the Behavior of Halogens as Hydrogen Bond Acceptors

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2012.678829

Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.678829

Strength and Character of Halogen Bonds in Protein–Ligand Complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.678829

10.1517/17460441.2012.678829

21 January 2018

Identifiers

DOI

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26 August 2017

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