Molecular model of cytotoxin-1 from Naja mossambica mossambica venom in complex with chymotrypsin
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Theoretical Biology Forum
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Snake venom is a myriad of biologically
active proteins and peptides. Three finger
toxins are highly conserved in their molecular
structure, but interestingly possess diverse biological
functions. During the course of evolution the
introduction of subtle mutations in loop regions
and slight variations in the three dimensional
structure, has resulted in their functional versatility.
Cytotoxin-1 (UniProt ID: P01467), isolated
from Naja mossambica mossambica, showed the
potential to inhibit chymotrypsin and the chymotryptic
activity of the 20S proteasome. In the
present work we describe a molecular model of cytotoxin-
1 in complex with chymotrypsin, prepared by the online server ClusPro. Analysis of the
molecular model shows that Cytotoxin-1 (P01467)
binds to chymotrypsin through its loop I located
near the N-terminus. The concave side of loop I of
the toxin fits well in the substrate binding pocket
of the protease. We propose Phe10 as the dedicated
P1 site of the ligand. Being a potent inhibitor
of the 20S proteasome, cytotoxin-1 (P01467) can
serve as a potential antitumor agent. Already
snake venom cytotoxins have been investigated
for their ability as an anticancer agent. The molecular
model of cytotoxin-1 in complex with chymotrypsin
provides important information towards
understanding the complex formation.
Como referenciar
MUNAWAR, AISHA; AKREM, AHMED; HUSSAIN, ASHIQ; SPENCER, PATRICK; BETZEL, CHRISTIAN. Molecular model of cytotoxin-1 from Naja mossambica mossambica venom in complex with chymotrypsin. Theoretical Biology Forum, v. 108, n. 1-2, p. 89-99, 2015. DOI: 10.1400/240197. Disponível em: http://repositorio.ipen.br/handle/123456789/31339. Acesso em: 30 Dec 2025.
Esta referência é gerada automaticamente de acordo com as normas do estilo IPEN/SP (ABNT NBR 6023) e recomenda-se uma verificação final e ajustes caso necessário.