Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)-Reference-Cited by-同舟云学术

Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)

Published:2015 Issue:3 Volume:39 Page:1628-1633
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Shi Ming W.¹²³⁴,Sobolev Alexandre N.¹²³⁴,Schirmeister Tanja⁵⁶⁷⁸,Engels Bernd⁹¹⁰¹¹⁸,Schmidt Thomas C.⁹¹⁰¹¹⁸,Luger Peter¹²¹³¹⁴⁸,Mebs Stefan¹²¹³¹⁴⁸,Dittrich Birger¹⁵¹⁶¹⁷⁸,Chen Yu-Sheng¹⁸¹⁹²⁰²¹,Bąk Joanna M.¹²³⁴,Jayatilaka Dylan¹²³⁴,Bond Charles S.¹²³⁴,Turner Michael J.¹²³⁴,Stewart Scott G.¹²³⁴,Spackman Mark A.¹²³⁴,Grabowsky Simon¹²³⁴²²

Affiliation:

1. The University of Western Australia

2. School of Chemistry and Biochemistry

3. Crawley

4. Australia

5. Johannes-Gutenberg-Universität Mainz

6. Institut für Pharmazie und Biochemie

7. 55128 Mainz

8. Germany

9. Julius-Maximilians-Universität Würzburg

10. Institut für Physikalische und Theoretische Chemie

11. 97074 Würzburg

12. Freie Universität Berlin

13. Institut für Chemie und Biochemie

14. 14195 Berlin

15. Universität Hamburg

16. Institut für Anorganische und Angewandte Chemie

17. 20146 Hamburg

18. ChemMatCARS

19. Center for Advanced Radiation Sources

20. Argonne

21. USA

22. Universität Bremen

Abstract

A combination of pseudoreceptor modeling and electrostatic complementarity maps properties of a native pocket for an enzyme ligand.

Funder

Advanced Research Projects Agency - Energy

Directorate for Biological Sciences

Deutsche Forschungsgemeinschaft

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2015/NJ/C4NJ01503G

Reference48 articles.

1. Inhibitions by E-64 Derivatives of Rat Liver Cathepsin B and Cathepsin L In Vitro and In Vivo 1

2. Effects on Cathepsin B, H, and D in Pectoral Muscle of Dystrophic Chickens (Line 413) of In Vivo Administration of E-64-c (N-[N-(L-3-Transcarboxyoxirane-2-Carbonyl)-L-Leucyl]-3-Methyl-Butylamine)1

3. Reaction of Calcium-Activated Neutral Protease (CANP) with an Epoxysuccinyl Derivative (E64c) and Iodoacetic Acid1

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