Molecular recognition in chemical and biological systems

E Persch, O Dumele, F Diederich - … Chemie International Edition, 2015 - Wiley Online Library
Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …

Fluorine in pharmaceuticals: looking beyond intuition

K Muller, C Faeh, F Diederich - science, 2007 - science.org
Fluorine substituents have become a widespread and important drug component, their
introduction facilitated by the development of safe and selective fluorinating agents …

Interactions with aromatic rings in chemical and biological recognition

EA Meyer, RK Castellano… - Angewandte Chemie …, 2003 - Wiley Online Library
Intermolecular interactions involving aromatic rings are key processes in both chemical and
biological recognition. Their understanding is essential for rational drug design and lead …

Computer-based de novo design of drug-like molecules

G Schneider, U Fechner - Nature Reviews Drug Discovery, 2005 - nature.com
Ever since the first automated de novo design techniques were conceived only 15 years
ago, the computer-based design of hit and lead structure candidates has emerged as a …

Approaches to the description and prediction of the binding affinity of small‐molecule ligands to macromolecular receptors

H Gohlke, G Klebe - Angewandte Chemie International Edition, 2002 - Wiley Online Library
The influence of a xenobiotic compound on an organism is usually summarized by the
expression biological activity. If a controlled, therapeutically relevant, and regulatory action …

The application of multi-component reactions in drug discovery

L Weber - Current Medicinal Chemistry, 2002 - ingentaconnect.com
Multi-component reactions (MCRs) enable the facile, automated and high throughput
generation of small organic molecules. MCRs have been used to create diversity oriented …

Structure-based design of novel potent nonpeptide thrombin inhibitors

NH Hauel, H Nar, H Priepke, U Ries… - Journal of medicinal …, 2002 - ACS Publications
The clinical syndromes of thromboembolism are evoked by an excessive stimulation of the
coagulation cascade. In this context, the serine protease thrombin plays a key role …

Hydrogen bonding, hydrophobic interactions, and failure of the rigid receptor hypothesis

AM Davis, SJ Teague - Angewandte Chemie International …, 1999 - Wiley Online Library
Why does experimental determination of the structure of drug–receptor complexes so often
result in surprises? The importance of hydrogen bonding and hydrophobic interactions in …

Wechselwirkungen mit aromatischen Ringen in chemischen und biologischen Erkennungsprozessen

EA Meyer, RK Castellano, F Diederich - Angewandte Chemie, 2003 - Wiley Online Library
Abstract Zwischenmolekulare Wechselwirkungen unter Beteiligung aromatischer Ringe sind
Schlüsselvorgänge sowohl in chemischen als auch in biologischen Erkennungsprozessen …

Fluorine Bonding How Does It Work In Protein− Ligand Interactions?

P Zhou, J Zou, F Tian, Z Shang - Journal of chemical information …, 2009 - ACS Publications
Although fluorination of pharmacologically active compounds has long been a common
strategy to increase their metabolic stability and membrane permeation, the functionality of …