About
The 2D and 3D properties available for each compound have been calculated using MOE (Chemical Computing Group) and Chemaxon (JChem library) according to the studies described below:
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Privileged Substructures to Modulate Protein-Protein Interactions.
Bosc N, Kuenemann MA, Bécot J, Vavrusa M, Cerdan AH, Sperandio O.
J Chem Inf Model. 2017 Oct 23;57(10):2448-2462. doi: 10.1021/acs.jcim.7b00435. Epub 2017 Sep 27.
PMID: 28922596 -
iPPI-DB: an online database of modulators of protein-protein interactions.
Labbé CM, Kuenemann MA, Zarzycka B, Vriend G, Nicolaes GA, Lagorce D, Miteva MA, Villoutreix BO, Sperandio O.
Nucleic Acids Res. 2016 Jan 4;44(D1):D542-7. doi: 10.1093/nar/gkv982. Epub 2015 Oct 1.
PMID: 26432833
| Last name | First name | Contact |
|---|---|---|
| BRANCOTTE | Bryan |
https://orcid.org/0000-0001-8669-5525 https://research.pasteur.fr/en/member/bryan-brancotte |
| MENAGER | Hervé |
https://orcid.org/0000-0002-7552-1009 https://research.pasteur.fr/en/member/herve-menager |
| SPERANDIO | Olivier |
https://orcid.org/0000-0001-6610-2729 https://research.pasteur.fr/en/member/olivier-sperandio/ |
Third party software
