Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function

Gurrola, Georgina B.; Guijarro, J. Iñaki; Delepierre, Muriel; Mendoza, Rosalinda; Cid-Uribe, Jimena I.; Coronas, Fredy V.; Possani, L.D.

doi:10.1016/j.toxicon.2019.06.013

Cited by 3 publications

(1 citation statement)

References 59 publications

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“…Considering that the structure of the peptide may change when it interacts with the cell, it is important to verify its three-dimensional structure through experiments. At present, the methods of protein crystal structure analysis mainly include nuclear magnetic resonance (NMR), X-ray diffraction imaging (XDI) and cryo-electron microscopy (Cryo-EM) [ 44 ]. Due to the limitation of experimental conditions, the 3D structure verification experiment of peptide cannot be carried out, so we hope to improve it in the subsequent studies.…”

Section: Discussionmentioning

confidence: 99%

Prediction of Anticancer Peptides with High Efficacy and Low Toxicity by Hybrid Model Based on 3D Structure of Peptides

Zhao

Wang

Fei

et al. 2021

IJMS

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Recently, anticancer peptides (ACPs) have emerged as unique and promising therapeutic agents for cancer treatment compared with antibody and small molecule drugs. In addition to experimental methods of ACPs discovery, it is also necessary to develop accurate machine learning models for ACP prediction. In this study, features were extracted from the three-dimensional (3D) structure of peptides to develop the model, compared to most of the previous computational models, which are based on sequence information. In order to develop ACPs with more potency, more selectivity and less toxicity, the model for predicting ACPs, hemolytic peptides and toxic peptides were established by peptides 3D structure separately. Multiple datasets were collected according to whether the peptide sequence was chemically modified. After feature extraction and screening, diverse algorithms were used to build the model. Twelve models with excellent performance (Acc > 90%) in the ACPs mixed datasets were used to form a hybrid model to predict the candidate ACPs, and then the optimal model of hemolytic peptides (Acc = 73.68%) and toxic peptides (Acc = 85.5%) was used for safety prediction. Novel ACPs were found by using those models, and five peptides were randomly selected to determine their anticancer activity and toxic side effects in vitro experiments.

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Section: Discussionmentioning

confidence: 99%