4.6 Article

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

Related references

Note: Only part of the references are listed.
Article Chemistry, Medicinal

Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors

Gisbert Schneider et al.

FUTURE MEDICINAL CHEMISTRY (2011)

Review Pharmacology & Pharmacy

De novo design: balancing novelty and confined chemical space

Peter S. Kutchukian et al.

EXPERT OPINION ON DRUG DISCOVERY (2010)

Article Chemistry, Medicinal

Design, Synthesis, and Biological Evaluation of a Novel Class of γ-Secretase Modulators with PPARγ Activity

Martina Hieke et al.

JOURNAL OF MEDICINAL CHEMISTRY (2010)

Editorial Material Chemistry, Medicinal

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

Sarah R. Langdon et al.

MOLECULAR INFORMATICS (2010)

Review Biotechnology & Applied Microbiology

Alzheimer's disease: strategies for disease modification

Martin Citron

NATURE REVIEWS DRUG DISCOVERY (2010)

Review Pharmacology & Pharmacy

Exploring the chemical space of gamma-secretase modulators

Heiko Zettl et al.

TRENDS IN PHARMACOLOGICAL SCIENCES (2010)

Article Biochemistry & Molecular Biology

High Constitutive Activity and a G-Protein-Independent High-Affinity State of the Human Histamine H4-Receptor

Erich H. Schneider et al.

BIOCHEMISTRY (2009)

Article Biochemistry & Molecular Biology

2,4-Diaminopyrimidines as histamine H4 receptor ligands-Scaffold optimization and pharmacological characterization

Kerstin Sander et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2009)

Article Chemistry, Medicinal

Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics

Y. von Coburg et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)

Review Pharmacology & Pharmacy

Histamine H-3 and H-4 receptors as novel drug targets

Ekaterini Tiligada et al.

EXPERT OPINION ON INVESTIGATIONAL DRUGS (2009)

Article Chemistry, Medicinal

FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules occupying Druglike Chemical Space

Peter S. Kutchukian et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)

Article Chemistry, Medicinal

Reaction-MQL: Line Notation for Functional Transformation

Felix H. Reisen et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)

Article Biochemistry & Molecular Biology

Concept of combinatorial De novo design of drug-like molecules by particle swarm optimization

Markus Hartenfeller et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2008)

Article Chemistry, Medicinal

Fragment based design of new H4 receptor-ligands with anti-inflammatory properties in vivo

Rogier A. Smits et al.

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Article Chemistry, Medicinal

Kernel approach to molecular similarity based con iterative graph similarity

Matthias Rupp et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)

Article Chemistry, Medicinal

Flux (2): Comparison of molecular mutation and crossover operators for ligand-based de novo design

Uli Fechner et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)

Article Chemistry, Medicinal

Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands

Alice Lee-Dutra et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)

Article Chemistry, Medicinal

Molecular complexity analysis of de novo designed ligands

Krisztina Boda et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Chemistry, Medicinal

Flux (1): A virtual synthesis scheme for fragment-based de novo design

U Fechner et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)

Review Biotechnology & Applied Microbiology

Computer-based de novo design of drug-like molecules

G Schneider et al.

NATURE REVIEWS DRUG DISCOVERY (2005)

Article Biochemistry & Molecular Biology

Diverse compounds mimic Alzheimer disease-causing mutations by augmenting Aβ42 production

T Kukar et al.

NATURE MEDICINE (2005)

Article Chemistry, Medicinal

ZINC - A free database of commercially available compounds for virtual screening

JJ Irwin et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)

Article Pharmacology & Pharmacy

A potent and selective histamine H4 receptor antagonist with anti-inflammatory properties

RL Thurmond et al.

JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS (2004)

Article Biochemical Research Methods

Trypsin cleaves exclusively C-terminal to arginine and lysine residues

JV Olsen et al.

MOLECULAR & CELLULAR PROTEOMICS (2004)

Article Chemistry, Medicinal

SYNOPSIS: SYNthesize and OPtimize system in silico

HM Vinkers et al.

JOURNAL OF MEDICINAL CHEMISTRY (2003)

Article Chemistry, Medicinal

Novel thrombin inhibitors incorporating non-basic partially saturated heterobicyclic P1-arginine mimetics

L Peterlin-Masic et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2003)

Article Chemistry, Multidisciplinary

The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics

C Steinbeck et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Biochemistry & Molecular Biology

De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks

G Schneider et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2000)