BioMedInformatics · Published 2026-08-03 · DOI 10.3390/biomedinformatics6040054
Ingrid Mayara Cavalcante Trevisan, Clailson da Silva Pinheiro, Juliana Mozer Sciani, Catarina Rapôso
The LW-9 peptide was previously identified through screening of purified molecules from the venom of the spider <i>Phoneutria nigriventer</i> and has been described as an immunomodulatory compound with potential application in cancer therapy. The molecule was biochemically characterized and subjected to <i>in silico</i> analyses to evaluate its toxicity and efficacy profiles. LW-9 exhibits a molecular mass of 1235.522 Da and the amino acid sequence PyrKKDRFLGLM-CONH<sub>2</sub>. Secondary and tertiary structures were modeled using computational approaches. The results indicated low permeability across biological membranes, including the blood–brain barrier. <i>In silico</i> predictions further suggested that LW-9 is neither carcinogenic nor mutagenic; however, it may act as a potent inhibitor of the CYP3A4 enzyme, raising concerns regarding potential drug–drug interactions. Overall, LW-9 shows promise as an immunomodulatory agent for cancer applications, while its pharmacokinetic properties and possible interactions with other drugs continue to be investigated.
Abstract from DOAJ. Public domain (CC0 1.0).
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Trevisan, I., Pinheiro, C., Sciani, J., et al. (2026). In Silico Characterization of the Venom-Derived LW-9 Peptide Using PreADMET-Based Predictions. BioMedInformatics. https://doi.org/10.3390/biomedinformatics6040054