Revealing the macromolecular targets of complex natural products

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

(2014) D. Reker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules

(2013) Michael Reutlinger et al.   Molecular Informatics

A ring-distortion strategy to construct stereochemically complex and structurally diverse compounds from natural products

(2013) Robert W. Huigens III et al.   Nature Chemistry

The V-ATPase-Inhibitor Archazolid Abrogates Tumor Metastasis via Inhibition of Endocytic Activation of the Rho-GTPase Rac1

(2012) R. M. Wiedmann et al.   CANCER RESEARCH

Expanding the medicinally relevant chemical space with compound libraries

(2012) Fabian López-Vallejo et al.   DRUG DISCOVERY TODAY

Critical role of farnesoid X receptor for hepatocellular carcinoma cell proliferation

(2012) T. Fujino et al.   JOURNAL OF BIOCHEMISTRY

Investigating Substrate Promiscuity in Cyclooxygenase-2

(2012) Alex J. Vecchio et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Mode of Cell Death Induction by Pharmacological Vacuolar H+-ATPase (V-ATPase) Inhibition

(2012) Karin von Schwarzenberg et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Understanding the Inhibitory Effect of Highly Potent and Selective Archazolides Binding to the Vacuolar ATPase

(2012) Sandra Dreisigacker et al.   Journal of Chemical Information and Modeling

Charting, Navigating, and Populating Natural Product Chemical Space for Drug Discovery

(2012) Hugo Lachance et al.   JOURNAL OF MEDICINAL CHEMISTRY

Natural-product-derived fragments for fragment-based ligand discovery

(2012) Björn Over et al.   Nature Chemistry

Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth

(2012) Fabian Schmid et al.   MedChemComm

Evolution of the physicochemical properties of marketed drugs: can history foretell the future?

(2011) Bernard Faller et al.   DRUG DISCOVERY TODAY

MK886 inhibits the proliferation of HL-60 leukemia cells by suppressing the expression of mPGES-1 and reducing prostaglandin E2 synthesis

(2011) YiQing Li et al.   INTERNATIONAL JOURNAL OF HEMATOLOGY

Archazolid A-15-O-β-d-glucopyranoside andiso-Archazolid B: Potent V-ATPase Inhibitory Polyketides from the MyxobacteriaCystobacter violaceusandArchangium gephyra

(2011) Nicole Horstmann et al.   JOURNAL OF NATURAL PRODUCTS

Synthesis and activity of the archazolid western hemisphere

(2011) Ann B. Tran et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Bioactivity-Guided Navigation of Chemical Space

(2010) Robin S. Bon et al.   ACCOUNTS OF CHEMICAL RESEARCH

5-Lipoxygenase inhibitors induce potent anti-proliferative and cytotoxic effects in human tumour cells independently of suppression of 5-lipoxygenase activity

(2010) AS Fischer et al.   BRITISH JOURNAL OF PHARMACOLOGY

Multi-Targeted Natural Products Evaluation Based on Biological Activity Prediction with PASS

(2010) Alexey Lagunin et al.   CURRENT PHARMACEUTICAL DESIGN

Inhibitors of V-ATPases: old and new players

(2009) M. Huss et al.   JOURNAL OF EXPERIMENTAL BIOLOGY

Novel Chemical Space Exploration via Natural Products

(2009) Josefin Rosén et al.   JOURNAL OF MEDICINAL CHEMISTRY

Predicting promiscuity

(2009) Andrew L. Hopkins   NATURE

Bioactivity-guided mapping and navigation of chemical space

(2009) Steffen Renner et al.   Nature Chemical Biology

Interactive exploration of chemical space with Scaffold Hunter

(2009) Stefan Wetzel et al.   Nature Chemical Biology

Self-Organizing Maps in Drug Discovery: Compound Library Design, Scaffold-Hopping, Repurposing

(2008) P. Schneider et al.   CURRENT MEDICINAL CHEMISTRY

Natural products in drug discovery

(2008) A HARVEY   DRUG DISCOVERY TODAY

Scaffold diversity of natural products: inspiration for combinatorial library design

(2008) Kristina Grabowski et al.   NATURAL PRODUCT REPORTS

Accessing target information by virtual parallel screening—The impact on natural product research

(2008) Judith M. Rollinger   Phytochemistry Letters