The “cyclopropyl fragment” is a versatile player that frequently appears in preclinical/clinical drug molecules
TT Talele - Journal of medicinal chemistry, 2016 - ACS Publications
Recently, there has been an increasing use of the cyclopropyl ring in drug development to
transition drug candidates from the preclinical to clinical stage. Important features of the …
transition drug candidates from the preclinical to clinical stage. Important features of the …
Tailor‐made amino acids and fluorinated motifs as prominent traits in modern pharmaceuticals
Structural analysis of modern pharmaceutical practices allows for the identification of two
rapidly growing trends: the introduction of tailor‐made amino acids and the exploitation of …
rapidly growing trends: the introduction of tailor‐made amino acids and the exploitation of …
A critical assessment of docking programs and scoring functions
GL Warren, CW Andrews, AM Capelli… - Journal of medicinal …, 2006 - ACS Publications
Docking is a computational technique that samples conformations of small molecules in
protein binding sites; scoring functions are used to assess which of these conformations best …
protein binding sites; scoring functions are used to assess which of these conformations best …
Safety, pharmacodynamics, and pharmacokinetics of single doses of BAY 59‐7939, an oral, direct factor Xa inhibitor
D Kubitza, M Becka, B Voith… - Clinical …, 2005 - Wiley Online Library
Background and Objective There is a clinical need for new oral anticoagulants to prevent
and treat thromboembolic diseases. Given its integral role in the coagulation cascade, factor …
and treat thromboembolic diseases. Given its integral role in the coagulation cascade, factor …
Drug discovery beyond the 'rule-of-five'
MQ Zhang, B Wilkinson - Current opinion in biotechnology, 2007 - Elsevier
Although a very useful guideline for orally bioavailable small-molecule drug design, the 'rule-
of-five'(also known as 'Lipinski's rule of drug-likeness') has to some extent been …
of-five'(also known as 'Lipinski's rule of drug-likeness') has to some extent been …
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 …
S Roehrig, A Straub, J Pohlmann… - Journal of medicinal …, 2005 - ACS Publications
Despite recent progress in antithrombotic therapy, there is still an unmet medical need for
safe and orally available anticoagulants. The coagulation enzyme Factor Xa (FXa) is a …
safe and orally available anticoagulants. The coagulation enzyme Factor Xa (FXa) is a …
Fluoroalkyl‐Substituted Diazomethanes and Their Application in a General Synthesis of Pyrazoles and Pyrazolines
L Mertens, KJ Hock, RM Koenigs - Chemistry–A European …, 2016 - Wiley Online Library
A novel continuous‐flow approach for the synthesis of fluoroalkyl‐substituted
diazomethanes has been developed. Utilizing a cheap, self‐made microreactor fluoroalkyl …
diazomethanes has been developed. Utilizing a cheap, self‐made microreactor fluoroalkyl …
Difluoro-and trifluoro diazoalkanes–complementary approaches in batch and flow and their application in cycloaddition reactions
KJ Hock, L Mertens, FK Metze, C Schmittmann… - Green chemistry, 2017 - pubs.rsc.org
Herein we report on applications of fluorinated diazoalkanes in cycloaddition reactions, with
the emphasis on studying subtle differences between diverse fluorinated diazo compounds …
the emphasis on studying subtle differences between diverse fluorinated diazo compounds …
Comparing sixteen scoring functions for predicting biological activities of ligands for protein targets
W Xu, AJ Lucke, DP Fairlie - Journal of Molecular Graphics and Modelling, 2015 - Elsevier
Accurately predicting relative binding affinities and biological potencies for ligands that
interact with proteins remains a significant challenge for computational chemists. Most …
interact with proteins remains a significant challenge for computational chemists. Most …
Thrombin receptor (protease activated receptor-1) antagonists as potent antithrombotic agents with strong antiplatelet effects
S Chackalamannil - Journal of Medicinal Chemistry, 2006 - ACS Publications
Cardiovascular diseases are the major cause of mortality and morbidity in the industrialized
world, while their incidents are on fast ascendancy in developing countries. 1 According to …
world, while their incidents are on fast ascendancy in developing countries. 1 According to …