IBIMOL   23987
INSTITUTO DE BIOQUIMICA Y MEDICINA MOLECULAR PROFESOR ALBERTO BOVERIS
Unidad Ejecutora - UE
capítulos de libros
Título:
Quantitative structure-activity relationship (QSAR) studies on bioactive cyclopeptides
Autor/es:
ALICIA B. POMILIO; VÍCTOR D. SZEWCZUK; ARTURO A. VITALE
Libro:
QSPR-QSAR Studies on Desired Properties for Drug Design
Editorial:
Research Signpost
Referencias:
Año: 2008;
Resumen:
Cyclopeptides show a variety of structures, from cyclodipeptides through cyclohepta- and octapeptides to cyclotides with 30 amino acids, which can be found in bacteria, insects, higher plants, fungi, animals, and humans. Peptides and in particular cyclopeptides are therapeutic targets which play an important role in medicinal chemistry, including drug design and quantitative structure-activity relationships (QSARs). However, few QSAR studies have been carried out on cyclopeptides in comparison with small organic molecules. Some structural features, substructures, and functional groups contribute to enhance the bioactivity. Configurational and conformational studies of cyclopeptides from plant and fungal origin were analysed and related to antitumoral activity and toxicity. Some physico-chemical properties, e.g., partition coefficient (log P) and several molecular parameters have been found to be relevant for activity. QSAR models including a variety of descriptors have been applied to synthetic and natural cyclopeptides as well as to their analogues. The balance between antimicrobial and haemolytic properties for design of antimicrobial cyclic peptides is discussed. This kind of studies also help the design of selective drugs