title: New small-size peptides possessing antifungal activity.
abstract: The synthesis, in vitro evaluation, and conformational study of a new series of small-size peptides acting as antifungal agents are reported. In a first step of our study we performed a conformational analysis using Molecular Mechanics calculations. The electronic study was carried out using Molecular electrostatic potentials (MEPs) obtained from RHF/6-31G calculations. On the basis of the theoretical predictions three small-size peptides, RQWKKWWQWRR-NH(2), RQIRRWWQWRR-NH(2), and RQIRRWWQW-NH(2) were synthesized and tested. These peptides displayed a significant antifungal activity against human pathogenic strains including Candida albicans and Cryptococcus neoformans. Our experimental and theoretical results allow the identification of a topographical template which can serve as a guide for the design of new compounds with antifungal properties for potential therapeutic applications against these pathogenic fungi.
authors: Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis, Chacabuco 915, 5700 San Luis, Argentina.
authors: Francisco M
authors: FM
authors: Garibotto
authors: Adriana D
authors: AD
authors: Garro
authors: Marcelo F
authors: MF
authors: Masman
authors: Ana M
authors: AM
authors: Rodríguez
authors: Paul G M
authors: PG
authors: Luiten
authors: Marcela
authors: M
authors: Raimondi
authors: Susana A
authors: SA
authors: Zacchino
authors: Csaba
authors: C
authors: Somlai
authors: Botond
authors: B
authors: Penke
authors: Ricardo D
authors: RD
authors: Enriz
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D000935:Antifungal Agents / Q000737:chemistry* / Q000494:pharmacology* / Q000633:toxicity; D002176:Candida albicans / Q000187:drug effects*; D002177:Candidiasis / Q000188:drug therapy; D003453:Cryptococcosis / Q000188:drug therapy; D003455:Cryptococcus neoformans / Q000187:drug effects*; D008958:Models, Molecular; D009181:Mycoses / Q000188:drug therapy*; D010455:Peptides / Q000737:chemistry* / Q000494:pharmacology* / Q000633:toxicity; D011036:Poecilia; D023382:Toxicity Tests, Acute
chemical_list: D000935:Antifungal Agents; D010455:Peptides