From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo Design

Capturing Biological Activity in Natural Product Fragments by Chemical Synthesis

(2016) Erika A. Crane et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Spotting and designing promiscuous ligands for drug discovery

(2016) P. Schneider et al.   CHEMICAL COMMUNICATIONS

Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators

(2016) Alessia Bertamino et al.   JOURNAL OF MEDICINAL CHEMISTRY

New transient receptor potential TRPV1, TRPM8 and TRPA1 channel antagonists from a single linear β,γ-diamino ester scaffold

(2016) Paula Pérez-Faginas et al.   RSC Advances

Characterization Of Selective TRPM8 Ligands And Their Structure Activity Response (S.A.R) Relationship

(2016) Muhammad Azhar Sherkheli et al.   JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES

De Novo Fragment Design for Drug Discovery and Chemical Biology

(2015) Tiago Rodrigues et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

(−)-Englerin A is a Potent and Selective Activator of TRPC4 and TRPC5 Calcium Channels

(2015) Yasemin Akbulut et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Revealing the Macromolecular Targets of Fragment-Like Natural Products

(2015) Tiago Rodrigues et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Discovery and resupply of pharmacologically active plant-derived natural products: A review

(2015) Atanas G. Atanasov et al.   BIOTECHNOLOGY ADVANCES

Total Synthesis of (±)-Englerin A Using An Intermolecular [3+2] Cycloaddition Reaction of Platinum-Containing Carbonyl Ylide

(2015) Hiroyuki Kusama et al.   Chemistry-An Asian Journal

The re-emergence of natural products for drug discovery in the genomics era

(2015) Alan L. Harvey et al.   NATURE REVIEWS DRUG DISCOVERY

Chemography of Natural Product Space

(2015) Tomoyuki Miyao et al.   PLANTA MEDICA

Design and synthesis of terpene based englerin A mimics using chromium oxide mediated remote CH 2 oxidation

(2015) Mark J. Acerson et al.   TETRAHEDRON LETTERS

An Enantioselective Inverse-Electron-Demand Imino Diels-Alder Reaction

(2014) Vincent Eschenbrenner-Lux et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Biology-Oriented Synthesis: Harnessing the Power of Evolution

(2014) Hilde van Hattum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Calculation of Molecular Structural Similarity: Principles and Practice

(2014) Peter Willett   Molecular Informatics

Revealing the macromolecular targets of complex natural products

(2014) Daniel Reker et al.   Nature Chemistry

Probing chemical space with alkaloid-inspired libraries

(2014) Michael C. McLeod et al.   Nature Chemistry

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

Crowdsourcing Natural Products Discovery to Access Uncharted Dimensions of Fungal Metabolite Diversity

(2013) Lin Du et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic Enantioselective Synthesis of Functionalized Tropanes Reveals Novel Inhibitors of Hedgehog Signaling

(2013) Rishikesh Narayan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2013) Michael Reutlinger et al.   Molecular Informatics

Industrial natural product chemistry for drug discovery and development

(2013) Armin Bauer et al.   NATURAL PRODUCT REPORTS

Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks

(2012) Markus Hartenfeller 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

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

(2012) Markus Hartenfeller et al.   PLoS Computational Biology

TRPM8 Biology and Medicinal Chemistry

(2011) Jeff DeFalco et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Drug discovery in the next decade: innovation needed ASAP

(2011) Youssef L. Bennani   DRUG DISCOVERY TODAY

Editorial [Hot topic: Computational Techniques for Lead Discovery from Nature (Executive Editor: Judith M. Rollinger)]

(2010) Judith M. Rollinger   CURRENT PHARMACEUTICAL DESIGN

Graph Kernels for Molecular Similarity

(2010) Matthias Rupp et al.   Molecular Informatics

Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles

(2010) P. A. Clemons et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Total Synthesis and Absolute Configuration of the Guaiane Sesquiterpene Englerin A

(2009) Matthieu Willot et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bioactivity-guided mapping and navigation of chemical space

(2009) Steffen Renner et al.   Nature Chemical Biology