Bottom-Up Design Approach for OBOC Peptide Libraries

Autor: Daniela Kalafatovic, Ernest Giralt, Dina Rešetar Maslov, Goran Mausa
Rok vydání: 2020
Předmět:
Solid-phase synthesis
Computer science
Pharmaceutical Science
Química combinatòria
Peptide
Combinatorial chemistry
010402 general chemistry
01 natural sciences
Article
Analytical Chemistry
lcsh:QD241-441
lcsh:Organic chemistry
Peptide Library
Tandem Mass Spectrometry
Drug Discovery
Combinatorial Chemistry Techniques
Amino Acid Sequence
Physical and Theoretical Chemistry
Amino Acids
Chromatography
High Pressure Liquid

Solid-Phase Synthesis Techniques
chemistry.chemical_classification
Sequence
010405 organic chemistry
Organic Chemistry
Top-down and bottom-up design
Síntesi de pèptids
Chemical space
Microspheres
UPLC-MS analysis
combinatorial
Síntesi en fase sólida
0104 chemical sciences
OBOC peptide libraries
bottom-up design
Peptide synthesis
chemistry
Chemistry (miscellaneous)
Molecular Medicine
Biochemical engineering
Peptides
Algorithms
Zdroj: Dipòsit Digital de la UB
Universidad de Barcelona
Molecules
Volume 25
Issue 15
Molecules, Vol 25, Iss 3316, p 3316 (2020)
Popis: One-bead-one-compound peptide libraries, developed following the top-down experimental approach, have attracted great interest in the identification of potential ligands or active peptides. By exploiting a reverse experimental design approach based on the bottom-up strategy, we aimed to develop simplified, maximally diverse peptide libraries that resulted in the successful characterization of mixture components. We show that libraries of 32 and 48 components can be successfully detected in a single run using chromatography coupled to mass spectrometry (UPLC-MS). The proposed libraries were further theoretically evaluated in terms of their composition and physico-chemical properties. By combining the knowledge obtained on single libraries we can cover larger sequence spaces and provide a controlled exploration of the peptide chemical space both theoretically and experimentally. Designing libraries by using the bottom-up approach opens up the possibility of rationally fine-tuning the library complexity based on the available analytical methods.
Databáze: OpenAIRE