Related references
Note: Only part of the references are listed.Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions
Leo A. Hardegger et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Oral, Direct Thrombin and Factor Xa Inhibitors: The Replacement for Warfarin, Leeches, and Pig Intestines?
Alexander Straub et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
Laura M. Salonen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Contribution of Explicit Solvent Effects to the Binding Affinity of Small-Molecule Inhibitors in Blood Coagulation Factor Serine Proteases
Robert Abel et al.
CHEMMEDCHEM (2011)
Accounting for water molecules in drug design
Sergio E. Wong et al.
EXPERT OPINION ON DRUG DISCOVERY (2011)
The discovery and development of rivaroxaban, an oral, direct factor Xa inhibitor
Elisabeth Perzborn et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
Developments in Factor Xa Inhibitors for the Treatment of Thromboembolic Disorders
Yu-Kai Lee et al.
MEDICINAL RESEARCH REVIEWS (2011)
Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide} as a clinical candidate
Lilli Anselm et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2010)
The Role of Water Molecules in Computational Drug Design
Stephanie B. A. de Beer et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2010)
Factor Xa Inhibitors: Next-Generation Antithrombotic Agents
Donald J. P. Pinto et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Dispersion dominated halogen-pi interactions: energies and locations of minima
Hannes G. Wallnoefer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Cation-pi Interactions at the Active Site of Factor Xa: Dramatic Enhancement upon Stepwise N-Alkylation of Ammonium Ions
Laura M. Salonen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Molecular Recognition at the Active Site of Catechol-O-Methyltransferase: Energetically Favorable Replacement of a Water Molecule Imported by a Bisubstrate Inhibitor
Manuel Ellermann et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Evidence for C-Cl/C-Br center dot center dot center dot pi Interactions as an Important Contribution to Protein-Ligand Binding Affinity
Hans Matter et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase
Tina Ritschel et al.
CHEMMEDCHEM (2009)
Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit
Katrin Groebke Zbinden et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2009)
Free Energies and Entropies of Water Molecules at the Inhibitor-Protein Interface of DNA Gyrase
Hongtao Yu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Encapsulation of tetramethylphosphonium cations
Ngong Kodiah Beyeh et al.
SUPRAMOLECULAR CHEMISTRY (2009)
Halogen bonding in supramolecular chemistry
Pierangelo Metrangolo et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Water as an active constituent in cell biology
Philip Ball
CHEMICAL REVIEWS (2008)
Ligand-protein docking with water molecules
Benjamin C. Roberts et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
Exploiting ordered waters in molecular docking
Niu Huang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors
Yan Shi et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
Robert Abel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Fluorine in pharmaceuticals:: Looking beyond intuition
Klaus Mueller et al.
SCIENCE (2007)
SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation factor Xa
Jennifer X. Qlao et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2007)
The discovery of (2R,4R)-N-(4-chlorophenyl)-N-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Jeffrey T. Kohrt et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2007)
A fluorine scan at the catalytic center of thrombin:: C-F, C-OH, and C-OMe bioisosterism and fluorine effects on pKa and logD values
Eliane Schweizer et al.
CHEMMEDCHEM (2006)
Factor Xa inhibitors: new anti-thrombotic agents and their characteristics
M Ieko et al.
FRONTIERS IN BIOSCIENCE-LANDMARK (2006)
Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide (BAY 59-7939):: An oral, direct factor Xa inhibitor
S Roehrig et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
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
M Nazaré et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Halogen bonding based recognition processes: A world parallel to hydrogen bonding
P Metrangolo et al.
ACCOUNTS OF CHEMICAL RESEARCH (2005)
Quantification of cation-pi interactions in protein-ligand complexes: Crystal-structure analysis of factor Xa bound to a quaternary ammonium ion ligand
K Scharer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Orthogonal multipolar interactions in structural chemistry and biology
R Paulini et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Novel factor Xa inhibitors based on a 2-carboxyindole scaffold:: SAR of P4 substituents in combination with a neutral P1 ligand
M Nazaré et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2004)
Coot:: model-building tools for molecular graphics
P Emsley et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)
Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand
M Nazaré et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2004)
Cys-loop receptors: new twists and turns
HA Lester et al.
TRENDS IN NEUROSCIENCES (2004)
Binding of acetylcholine and tetramethylammonium to flexible cyclophane receptors: Improving on binding ability by optimizing host's geometry
P Sarri et al.
JOURNAL OF ORGANIC CHEMISTRY (2004)
Solvent-stabilized molecular capsules
A Shivanyuk et al.
JOURNAL OF ORGANIC CHEMISTRY (2003)
Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: Preference for a neutral group in the S1 pocket
S Maignan et al.
JOURNAL OF MEDICINAL CHEMISTRY (2003)
Utilising structural knowledge in drug design strategies:: Applications using relibase
J Günther et al.
JOURNAL OF MOLECULAR BIOLOGY (2003)
Relibase:: Design and development of a database for comprehensive analysis of protein-ligand interactions
M Hendlich et al.
JOURNAL OF MOLECULAR BIOLOGY (2003)
Interactions with aromatic rings in chemical and biological recognition
EA Meyer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
The role of the counteranion in the cation-pi interaction
CA Hunter et al.
CHEMICAL COMMUNICATIONS (2003)
Binding of acetylcholine and tetramethylammonium to a cyclophane receptor:: Anion's contribution to the cation-π interaction
S Bartoli et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Substituent effects on cation-π interactions:: A quantitative study
CA Hunter et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Fluorine substituent effects (on bioactivity)
BE Smart
JOURNAL OF FLUORINE CHEMISTRY (2001)
Crystal structures of human factor Xa complexed with potent inhibitors
S Maignan et al.
JOURNAL OF MEDICINAL CHEMISTRY (2000)
Share Paper
