iPPI-DB: an online database of modulators of protein–protein interactions
| العنوان: | iPPI-DB: an online database of modulators of protein–protein interactions |
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| المؤلفون: | Barbara Zarzycka, David Lagorce, Mélaine A. Kuenemann, Gert Vriend, Céline M. Labbé, Maria A. Miteva, Bruno O. Villoutreix, Olivier Sperandio, Gerry A. F. Nicolaes |
| المساهمون: | Promovendi CD, Biochemie, RS: CARIM - R1.01 - Blood proteins & engineering |
| المصدر: | Nucleic Acids Research, 44, D542-7 Nucleic Acids Research, 44(D1), D542-D547. Oxford University Press Nucleic Acids Research Nucleic Acids Research, 44, D1, pp. D542-7 |
| بيانات النشر: | Oxford University Press (OUP), 2015. |
| سنة النشر: | 2015 |
| مصطلحات موضوعية: | 0301 basic medicine, Internet, Online database, Proteins, Computational biology, Chemical similarity, Biology, Bioinformatics, chEMBL, Chemical space, 3. Good health, 03 medical and health sciences, Identification (information), 030104 developmental biology, Pharmaceutical Preparations, Drug Discovery, Protein Interaction Mapping, Genetics, Database Issue, Table (database), UniProt, Databases, Protein, Nanomedicine Radboud Institute for Molecular Life Sciences [Radboudumc 19], PubChem |
| الوصف: | Contains fulltext : 171990.pdf (Publisher’s version ) (Open Access) In order to boost the identification of low-molecular-weight drugs on protein-protein interactions (PPI), it is essential to properly collect and annotate experimental data about successful examples. This provides the scientific community with the necessary information to derive trends about privileged physicochemical properties and chemotypes that maximize the likelihood of promoting a given chemical probe to the most advanced stages of development. To this end we have developed iPPI-DB (freely accessible at http://www.ippidb.cdithem.frTest), a database that contains the structure, some physicochemical characteristics, the pharmacological data and the profile of the PPI targets of several hundreds modulators of protein-protein interactions. iPPI-DB is accessible through a web application and can be queried according to two general approaches: using physicochemical/pharmacological criteria; or by chemical similarity to a user-defined structure input. In both cases the results are displayed as a sortable and exportable datasheet with links to external databases such as Uniprot, PubMed. Furthermore each compound in the table has a link to an individual ID card that contains its physicochemical and pharmacological profile derived from iPPI-DB data. This includes information about its binding data, ligand and lipophilic efficiencies, location in the PPI chemical space, and importantly similarity with known drugs, and links to external databases like PubChem, and ChEMBL. |
| وصف الملف: | application/pdf |
| تدمد: | 1362-4962 0305-1048 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea71e1cf78b9663b10f9da5271a27af5Test https://doi.org/10.1093/nar/gkv982Test |
| حقوق: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....ea71e1cf78b9663b10f9da5271a27af5 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 13624962 03051048 |
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