(Q44880159)

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Fluorine interactions at the thrombin active site: protein backbone fragments H-C(alpha)-C=O comprise a favorable C-F environment and interactions of C-F with electrophiles

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7 December 2017

Fluorine interactions at the thrombin active site: protein backbone fragments H-C(alpha)-C=O comprise a favorable C-F environment and interactions of C-F with electrophiles (English)

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Europe PubMed Central

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7 December 2017

François Diederich

9

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François Diederich

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7 December 2017

8

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Klaus Müller

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7 December 2017

author name string

Jacob A Olsen

1

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7 December 2017

David W Banner

2

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7 December 2017

Paul Seiler

3

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7 December 2017

Björn Wagner

4

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7 December 2017

Thomas Tschopp

5

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7 December 2017

Ulrike Obst-Sander

6

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7 December 2017

Manfred Kansy

7

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7 December 2017

publication date

1 May 2004

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7 December 2017

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7 December 2017

5

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7 December 2017

5

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7 December 2017

666-675

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7 December 2017

Metabolism of fluorine-containing drugs

1 reference

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Structural basis for inhibition of the protein tyrosine phosphatase 1B by phosphotyrosine peptide mimetics

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X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction

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Organic Fluorine Hardly Ever Accepts Hydrogen Bonds

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Twisted amides inferred from QSAR analysis of hydrophobicity and electronic effects on the affinity of fluoroaromatic inhibitors of carbonic anhydrase.

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Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.

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Interactions with aromatic rings in chemical and biological recognition

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A fluorine scan of thrombin inhibitors to map the fluorophilicity/fluorophobicity of an enzyme active site: evidence for C-F...C=O interactions

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Design and synthesis of potent and highly selective thrombin inhibitors

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MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

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Strength of the Calpha H..O hydrogen bond of amino acid residues

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C-F...H-C hydrogen bonds in ribonucleic acids

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Intra- and inter-molecular C-H...F-C and N-H...F-C hydrogen bonding in secondary amine adducts of B(C6F5)3: relevance to key interactions in alkene polymerisation catalysis

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Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa

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Structural basis of inhibitor selectivity in MAP kinases

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Crystallographic study of the binding of a trifluoroacetyl dipeptide anilide inhibitor with elastase

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Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors

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From crystal statics to chemical dynamics

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Some influences of fluorine in bioorganic chemistry

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Substitution reactions of 2-phenylsulphonyl-piperidines and -pyrrolidines with carbon nucleophiles: Synthesis of the pyrrolidine alkaloids norruspoline and ruspolinone

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Molecular Torsion Balance for Weak Molecular Recognition Forces. Effects of "Tilted-T" Edge-to-Face Aromatic Interactions on Conformational Selection and Solid-State Structure

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21 January 2018

Statistical and theoretical studies of fluorophilicity

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Weak intermolecular interactions between nitrogen and oxygen atoms

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Small molecule interactions with protein-tyrosine phosphatase PTP1B and their use in inhibitor design

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Models of F.H contacts relevant to the binding of fluoroaromatic inhibitors to carbonic anhydrase II

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The contribution of halogen atoms to protein-ligand interactions

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Identification of two hydrophobic patches in the active-site cavity of human carbonic anhydrase II by solution-phase and solid-state studies and their use in the development of tight-binding inhibitors

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21 January 2018

Molecular recognition at the thrombin active site: structure-based design and synthesis of potent and selective thrombin inhibitors and the X-ray crystal structures of two thrombin-inhibitor complexes

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21 January 2018

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21 January 2018

Edge-to-face CH/pi interaction between ligand Phe-phenyl and receptor aromatic group in the thrombin receptor activation

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21 January 2018

Water molecules which apparently accept no hydrogen bonds are systematically involved in C-H...O interactions

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21 January 2018

Is fluoride bonded to two Pd acceptors still basic? Three CH2Cl2 molecules encapsulating a Pd2(mu-F)2 square and new implications for catalysis

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21 January 2018

A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic system

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Supramolecular Synthons in Crystal Engineering—A New Organic Synthesis

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Identifiers

10.1002/CBIC.200300907

1 reference

Europe PubMed Central

PubMed publication ID

7 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

7 December 2017

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