التفاصيل البيبلوغرافية
العنوان:
Water envelope has a critical impact on the design of protein–protein interaction inhibitors
المؤلفون:
Ekaterina L. Ratkova , Igor V. Tetko , Michael Sattler , Grzegorz Dubin , Valeria Napolitano , Roberto Fino , Maciej Dawidowski , Grzegorz M. Popowicz , Michael Sebastian Ostertag
المصدر:
Chem. Commun. 56, 4360-4363 (2020)
بيانات النشر:
Royal Society of Chemistry (RSC), 2020.
سنة النشر:
2020
مصطلحات موضوعية:
Pyrrolidines , Peroxisome-Targeting Signal 1 Receptor , In silico , Trypanosoma brucei brucei , Protozoan Proteins , Crystallography, X-Ray , Proof of Concept Study , 01 natural sciences , Catalysis , Protein–protein interaction , Structure-Activity Relationship , 03 medical and health sciences , Materials Chemistry , Humans , Computer Simulation , 030304 developmental biology , Envelope (waves) , 0303 health sciences , Molecular Structure , 010405 organic chemistry , Chemistry , Metals and Alloys , Membrane Proteins , Water , General Chemistry , Orders of magnitude (mass) , ddc , 0104 chemical sciences , Surfaces, Coatings and Films , Electronic, Optical and Magnetic Materials , Ceramics and Composites , Biophysics , Pyrazoles , Protein Multimerization , Protein Binding
الوصف:
We show that a water envelope network plays a critical role in protein-protein interactions (PPI). The potency of a PPI inhibitor is modulated by orders of magnitude on manipulation of the solvent envelope alone. The structure-activity relationship of PEX14 inhibitors was analyzed as an example using in silico and X-ray data.
وصف الملف:
application/pdf
تدمد:
1364-548X
الوصول الحر:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40869e66bf8d308bf2c99b2ca1f76db3Test https://doi.org/10.1039/c9cc07714fTest
حقوق:
OPEN
رقم الانضمام:
edsair.doi.dedup.....40869e66bf8d308bf2c99b2ca1f76db3
قاعدة البيانات:
OpenAIRE
