A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes-Reference-Cited by-同舟云学术

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A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes

Published:2011-10-25 Issue:22 Volume:54 Page:7784-7796
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Köster Helene¹,Craan Tobias¹,Brass Sascha¹,Herhaus Christian²,Zentgraf Matthias³,Neumann Lars⁴,Heine Andreas¹,Klebe Gerhard¹

Affiliation:

1. Department of Pharmaceutical Chemistry, Philipps University Marburg, Marbacher Weg 6, 35032 Marburg, Germany

2. Merck KGaA, Frankfurter Straße 250, 64293 Darmstadt, Germany

3. Boehringer Ingelheim Pharma GmbH & Co. KG, Birkendorfer Straße 65, 88397 Biberach/Riß, Germany

4. Proteros Biostructures, Bunsenstr. 7a, D-82152 Martinsried, Germany

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm200642w

Reference66 articles.

1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

2. Ligand efficiency indices as guideposts for drug discovery

3. High-throughput X-ray crystallography for drug discovery

4. Fragment-Based Lead Discovery Using X-ray Crystallography

5. High-throughput protein crystallography and drug discovery

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