Halogen bonding (X-bonding): A biological perspective

Ablaze Over Furniture Fires

(2016)   CHEMICAL & ENGINEERING NEWS

EPA Targets Flame Retardants

(2016)   CHEMICAL & ENGINEERING NEWS

Scalable Anisotropic Shape and Electrostatic Models for Biological Bromine Halogen Bonds

(2012) Megan Carter et al.   Journal of Chemical Theory and Computation

On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds

(2012) Michal Kolář et al.   Journal of Chemical Theory and Computation

Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents

(2012) William L. Jorgensen et al.   Journal of Chemical Theory and Computation

Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions

(2012) Robert A. Heald et al.   JOURNAL OF MEDICINAL CHEMISTRY

AMBER Empirical Potential Describes the Geometry and Energy of Noncovalent Halogen Interactions Better than Advanced Semiempirical Quantum Mechanical Method PM6-DH2X

(2012) Mahmoud A. A. Ibrahim   JOURNAL OF PHYSICAL CHEMISTRY B

Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding

(2012) Debasish Manna et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

(2012) Rainer Wilcken et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New 3-amidinophenylalanine-derived inhibitors of matriptase

(2012) Maya Hammami et al.   MedChemComm

A novel amino-benzosuberone derivative is a picomolar inhibitor of mammalian aminopeptidase N/CD13

(2011) Carmen Maiereanu et al.   BIOORGANIC & MEDICINAL CHEMISTRY

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

(2011) Oleg Fedorov et al.   CHEMISTRY & BIOLOGY

Halogen Bonding at the Active Sites of Human Cathepsin L and MEK1 Kinase: Efficient Interactions in Different Environments

(2011) Leo A. Hardegger et al.   ChemMedChem

Strength and Character of Halogen Bonds in Protein–Ligand Complexes

(2011) Kevin E. Riley et al.   CRYSTAL GROWTH & DESIGN

Assaying the Energies of Biological Halogen Bonds

(2011) Megan Carter et al.   CRYSTAL GROWTH & DESIGN

Molecular mechanical study of halogen bonding in drug discovery

(2011) Mahmoud A. A. Ibrahim   JOURNAL OF COMPUTATIONAL CHEMISTRY

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

(2011) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions

(2010) Leo A. Hardegger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Directional Weak Intermolecular Interactions: σ-Hole Bonding

(2010) Jane S. Murray et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Halogenated Benzimidazole Carboxamides Target Integrin  4 1 on T-Cell and B-Cell Lymphomas

(2010) R. D. Carpenter et al.   CANCER RESEARCH

Evidence for CCl/CBr⋅⋅⋅π Interactions as an Important Contribution to Protein-Ligand Binding Affinity

(2009) Hans Matter et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Halogen bonding: Recent advances

(2009) Marc Fourmigué   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Role of Halogen Bonds in Thyroid Hormone Receptor Selectivity: Pharmacophore-Based 3D-QSSR Studies

(2009) Napoleão F. Valadares et al.   Journal of Chemical Information and Modeling

Halogen BondingA Novel Interaction for Rational Drug Design?

(2009) Yunxiang Lu et al.   JOURNAL OF MEDICINAL CHEMISTRY

C−X···H Contacts in Biomolecular Systems: How They Contribute to Protein−Ligand Binding Affinity

(2009) Yunxiang Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Mammalian Reductive Deiodinase has Broad Power to Dehalogenate Chlorinated and Brominated Substrates

(2009) Patrick M. McTamney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Halogen bonds as orthogonal molecular interactions to hydrogen bonds

(2009) Andrea Regier Voth et al.   Nature Chemistry

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation

Identification ofN-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design†

(2008) Paul G. Wyatt et al.   JOURNAL OF MEDICINAL CHEMISTRY

Halogenated Benzenes Bound within a Non-polar Cavity in T4 Lysozyme Provide Examples of I⋯S and I⋯Se Halogen-bonding

(2008) Lijun Liu et al.   JOURNAL OF MOLECULAR BIOLOGY

Biochemical and Structural Evaluation of Highly Selective 2-Arylbenzoxazole-Based Transthyretin Amyloidogenesis Inhibitors

(2007) Steven M. Johnson et al.   JOURNAL OF MEDICINAL CHEMISTRY