Docking-Based Virtual Screening of Covalently Binding Ligands: An Orthogonal Lead Discovery Approach-Reference-Cited by-同舟云学术

Docking-Based Virtual Screening of Covalently Binding Ligands: An Orthogonal Lead Discovery Approach

Published:2013-02-12 Issue:4 Volume:56 Page:1478-1490
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Schröder Jörg¹,Klinger Anette¹²,Oellien Frank¹,Marhöfer Richard J.¹,Duszenko Michael²,Selzer Paul M.¹²³

Affiliation:

1. MSD Animal Health Innovation GmbH, Zur Propstei, D-55270 Schwabenheim, Germany

2. Interfakultäres Institut für Biochemie, Universität Tübingen, Hoppe-Seyler-Straße 4, D-72076 Tübingen, Germany

3. Wellcome Trust Centre for Molecular Parasitology, Institute of Infection, Immunity and Inflammation, College of Medical, Veterinary and Life Sciences, University of Glasgow, 120 University Place, Glasgow G12 8TA, Scotland, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm3013932

Reference87 articles.

1. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

2. Understanding Noncovalent Interactions: Ligand Binding Energy and Catalytic Efficiency from Ligand-Induced Reductions in Motion within Receptors and Enzymes

3. A Comprehensive Listing of Bioactivation Pathways of Organic Functional Groups

4. Toxicophores: Investigations in drug safety

5. Impact of mechanism‐based enzyme inactivation on inhibitor potency: Implications for rational drug discovery

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