title: Structure-antifungal activity relationship of His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 and analogues.
abstract: The synthesis, in vitro evaluation and conformational study of His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH(2) and analogues acting as antifungal agents are reported. Among them, His-Phe-Lys-Trp-Gly-Arg-Phe-Val-NH(2) exhibited a moderate but significant antifungal activity against Cryptococcus neoformans, Candida albicans and Candida tropicalis. A theoretical study allows us to propose a biologically relevant conformation for these octapeptides acting as antifungal agents. In addition, these theoretical calculations allow us to determine the minimal structural requirements to produce the antifungal response and can provide a guide for the design of compounds with this biological activity.
authors.affiliation: Departamento de Química, Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis, Chacabuco 915, 5700 San Luis, Argentina.
authors.forename: Marcelo F
authors.initials: MF
authors.lastname: Masman
authors.forename: Csaba
authors.initials: C
authors.lastname: Somlai
authors.forename: Francisco M
authors.initials: FM
authors.lastname: Garibotto
authors.forename: Ana M
authors.initials: AM
authors.lastname: Rodríguez
authors.forename: Agustina
authors.initials: A
authors.lastname: de la Iglesia
authors.forename: Susana A
authors.initials: SA
authors.lastname: Zacchino
authors.forename: Botond
authors.initials: B
authors.lastname: Penke
authors.forename: Ricardo D
authors.initials: RD
authors.lastname: Enriz
mesh_terms: D000595:Amino Acid Sequence; D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D002176:Candida albicans / Q000187:drug effects; D041022:Candida tropicalis / Q000187:drug effects; D003455:Cryptococcus neoformans / Q000187:drug effects; D008958:Models, Molecular; D008968:Molecular Conformation; D010455:Peptides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D055672:Static Electricity; D013329:Structure-Activity Relationship
chemical_list: D000935:Antifungal Agents; D010455:Peptides