Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

The Anticancer Effects of Moringa oleifera Peptides on the Erythropoietin-Producing Hepatocellular Receptor (EphB4) Were Predicted In Silico

Version 1 : Received: 30 November 2023 / Approved: 1 December 2023 / Online: 1 December 2023 (13:32:59 CET)

How to cite: Valdez-Solana, M.A.; Avitia-Domínguez, C.; Téllez Valencia, A.; Sierra-Campos, E. The Anticancer Effects of Moringa oleifera Peptides on the Erythropoietin-Producing Hepatocellular Receptor (EphB4) Were Predicted In Silico. Preprints 2023, 2023120088. https://doi.org/10.20944/preprints202312.0088.v1 Valdez-Solana, M.A.; Avitia-Domínguez, C.; Téllez Valencia, A.; Sierra-Campos, E. The Anticancer Effects of Moringa oleifera Peptides on the Erythropoietin-Producing Hepatocellular Receptor (EphB4) Were Predicted In Silico. Preprints 2023, 2023120088. https://doi.org/10.20944/preprints202312.0088.v1

Abstract

The receptor tyrosine kinase (EphB4), which produces erythropoietin, was identified as a molecular target for cancer. We identified six peptides as potential inhibitors of EphB4 using an integrated approach combining online bioinformatics tools. According to PeptideRanker, CSM-peptides, SCMTHP, and AcPEP analysis, all peptides are effective against cancer, with the exception of LTAPGQATLPT and VEQNLVPGLK. Furthermore, Toxin-Pred predicts that none of the peptides are toxic, and that only VQLPGWRVFP and TMKGPPDTLQ are potentially allergenic using AllerTop server. PepSite2, HPEPDOCK, and MDockPeP servers were utilized to perform molecular docking, and PacDock was used to examine molecular interactions. The docking score (kcal/mol) range of six promising anticancer peptides against EphB4 was recorded as follows: VQLPGWRVFP (-240.72), FTKDDEWSCFPF (-201.74), SYLPPLSAEVTAK (-177.52), LTAPGQATLPT (-162.23), VEQNLVPGLK (-157.30), TMKGPPDTLQ (-149.67). The main bindings on the allosteric site to VQLPGWRVFP were with R706, S815, R819 and P843 on EphB4. Collectively, our results demonstrated that M. oleifera peptides ameliorate cancer by inhibiting EphB4, and they are promising candidates for the prevention and treatment of cancer.

Keywords

Moringa oleifera; anticancer peptides; EphB4; Bioinformatics.

Subject

Biology and Life Sciences, Biochemistry and Molecular Biology

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