Human endostatin is an endogenous angiogenesis inhibitor, and its ability to modulate tumors vascularization is of great therapeutic interest. The antiangiogenic activity is conserved also in some of its synthetic fragments. Fragment 6-49, in particular, is even more active than full length protein. It covers an endostatin region which shows two phenylalanines unusually exposed on the surface. The effect of the mutation of these residues on fragment 6-49 structure and activity are discussed and compared to those of a similar mutation in full length endostatin. A hypothesis on the fragment active epitope is supported by data from molecular dynamics simulations.

A molecular dynamics study of an endostatin-derived peptide with antiangiogenic activity and of its mutants / S. Pieraccini, G. Saladino, M. Sironi, P. Francescato, M.G. Cattaneo, L.M. Vicentini, G. Speranza, P. Manitto. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - 455:4-6(2008 Apr 10), pp. 311-315.

A molecular dynamics study of an endostatin-derived peptide with antiangiogenic activity and of its mutants

S. Pieraccini
Primo
;
G. Saladino
Secondo
;
M. Sironi
;
P. Francescato;M.G. Cattaneo;L.M. Vicentini;G. Speranza
Penultimo
;
P. Manitto
Ultimo
2008

Abstract

Human endostatin is an endogenous angiogenesis inhibitor, and its ability to modulate tumors vascularization is of great therapeutic interest. The antiangiogenic activity is conserved also in some of its synthetic fragments. Fragment 6-49, in particular, is even more active than full length protein. It covers an endostatin region which shows two phenylalanines unusually exposed on the surface. The effect of the mutation of these residues on fragment 6-49 structure and activity are discussed and compared to those of a similar mutation in full length endostatin. A hypothesis on the fragment active epitope is supported by data from molecular dynamics simulations.
Domain
Settore CHIM/02 - Chimica Fisica
Settore BIO/14 - Farmacologia
Settore CHIM/06 - Chimica Organica
10-apr-2008
Article (author)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/56973
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