COMPUTATIONAL ASSESSMENT OF EIF4E ISOFORMS IN COWPEA (VIGNA UNGUICULATA (L.) WALP): FROM GENOME MINING TO STRUCTURAL PROFILING

Madson Allan de Luna Aragão; Saulo Rafael Mendes Penna; Fernanda Alves de Andrade; Carlos André dos Santos Silva; José Diogo Cavalcanti Ferreira; VALESCA PANDOLFI; Ana Maria Benko Iseppon

Título do Trabalho

Autores

Madson Allan de Luna Aragão
Saulo Rafael Mendes Penna
Fernanda Alves de Andrade
Carlos André dos Santos Silva
José Diogo Cavalcanti Ferreira
VALESCA PANDOLFI
Ana Maria Benko Iseppon

Modalidade

Poster

Área temática

Proteins and Proteomics

Data de Publicação

02/10/2025

País da Publicação

Brazil | Brasil

Idioma da Publicação

pt-BR

Página do Trabalho

https://www.even3.com.br/anais/xmeeting-2025/1117130-computational-assessment-of-eif4e-isoforms-in-cowpea-(vigna-unguiculata-(l)-walp)--from-genome-mining-to-struct

ISBN

978-65-272-1722-0

Palavras-Chave

Translation initiation factor, Potyvirus, Pathogen Resistance, Structural characterization, Molecular modeling, Molecular dynamics

Resumo

Cowpea (Vigna unguiculata (L.) Walp) is an important crop in tropical and subtropical regions, due to its nutritional properties and adaptability. The eukaryotic translation initiation factor 4E (eIF4E) is a key protein involved in cap-dependent translation. Its interaction with viral proteins has been associated with host susceptibility/resistance to viruses of the Potyviridae family, such as the Cowpea aphid-borne mosaic virus (CABMV). This study provides a detailed in silico structural analysis of eIF4E isoforms in V. unguiculata, aiming to identify structural determinants that may influence viral resistance or susceptibility. Gene mining was performed using annotated genomes of common bean (Phaseolus vulgaris) and V. unguiculata, along with pre-release genomic assemblies from five Cowpea cultivars (BR14 Mulato, IT85F-2687, Santo Inácio and Pingo de Ouro). Conserved sequence domains were identified using NCBI’s CD-Search, and sequence alignments were subsequently performed with Clustal Omega and visualized in Jalview. Theorical tridimensional models of the isoforms were generated using AlphaFold3, with model accuracy evaluated through pLDDT and PAE scores and validated using ProSa-web, PROCHECK and QMEANDisCo metrics. Molecular Dynamics (MD) simulations were performed using GROMACS 2022.4 with the GROMOS 53A6 force field in a solvated system under physiological conditions (0.15 M NaCl) for 100 ns. Structural stability and conformational flexibility were assessed via RMSD, RMSF, radius of gyration and hydrogen bond analysis. Electrostatic surface potential maps were generated using the APBS server to analyze the charge distribution across the molecular surfaces. Genomic mining of Cowpea cultivars revealed the presence of three genes encoding eIF4E isoforms, located on chromosomes 4, 6 and 7. The protein sequences corresponding to the isoforms from chromosomes 4 and 7 exhibited high sequence conservation, whereas the isoform encoded on chromosome 6 showed lower conservation, suggesting potential functional divergence, altered affinity for the 5' cap region, or distinct involvement in translation hijacking mechanisms during phytopathogen infections, such as those caused by CABMV. The tri-dimensional modeling revealed that eIF4E isoforms in V. unguiculata maintain a conserved "cupped hand" fold, typical of cap-binding proteins. Notably, isoforms encoded by chromosomes 4 and 7 showed significant structural similarity, particularly due to the presence of positively charged regions and flexible loops in the region involved in interacting with the mRNA 5' cap and eIF4G. In contrast, chromosome 6 isoforms displayed a distinct electrostatic potential and enhanced rigidity relative to the others, potentially impairing their interaction with the translation machinery. These findings suggest that the structural diversity among eIF4E isoforms may underlie differential responses to translation regulation and virus susceptibility in Cowpea cultivars. Altogether, these insights support future efforts in breeding and biotechnological approaches aimed at enhancing viral resistance in V. unguiculata.

Título do Evento: 21º Congresso Brasileiro de Bioinformática: X Meeting 2025
Cidade do Evento: João Pessoa
Título dos Anais do Evento: Proceedings of the 21st Brazilian Congress on Bioinformatics (X-Meeting)
Nome da Editora: Even3
Meio de Divulgação: Meio Digital

Como citar

ARAGÃO, Madson Allan de Luna et al.. COMPUTATIONAL ASSESSMENT OF EIF4E ISOFORMS IN COWPEA (VIGNA UNGUICULATA (L.) WALP): FROM GENOME MINING TO STRUCTURAL PROFILING.. In: Proceedings of the 21st Brazilian Congress on Bioinformatics (X-Meeting). Anais...João Pessoa(PB) Centro Universitário - UNIESP, 2025. Disponível em: https//www.even3.com.br/anais/xmeeting-2025/1117130-COMPUTATIONAL-ASSESSMENT-OF-EIF4E-ISOFORMS-IN-COWPEA-(VIGNA-UNGUICULATA-(L)-WALP)--FROM-GENOME-MINING-TO-STRUCT. Acesso em: 05/05/2026