terclim by ICS banner
IVES 9 IVES Conference Series 9 Artificial intelligence (AI)-based protein modeling for the interpretation of grapevine genetic variants

Artificial intelligence (AI)-based protein modeling for the interpretation of grapevine genetic variants

Abstract

Genetic variants known to produce single residue missense mutations have been associated with phenotypic traits of commercial interest in grapevine. This is the case of the K284N substitution in VviDXS1 associated with muscat aroma, or the R197L in VviAGL11 causing stenospermocarpic seedless grapes. The impact of such mutations on protein structure, stability, dynamics, interactions, or functional mechanism can be studied by computational methods, including our pyDock scoring, previously developed. For this, knowledge on the 3D structure of the protein and its complexes with other proteins and biomolecules is required, but such knowledge is not available for virtually none of the proteins and complexes in grapevine. Fortunately, the possibility of modeling proteins and complex structures with Artificial Intelligence (AI)-based methods like AlphaFold2 and AlphaFold2-Multimer will facilitate the application of this approach to proteins and complexes without available structure. Moreover, we are developing new methods based on AI to combine AlphaFold models, molecular dynamics (MD), pyDock energy scoring, and CCharPPI descriptors to predict the impact of protein mutations at the molecular level. As a case study, we have modelled the impact of the R197L seedlessness-associated substitution in VviAGL11. This protein is a homo-dimeric transcription factor that interacts with VviMADS4 dimeric protein to form a functional hetero-tetramer. Structural modeling of this complex provides insights into the functional mechanism of this protein and the role of the mentioned mutation. This protein modeling approach could be extended for grapevine mutation analysis at the genomic level.

DOI:

Publication date: June 14, 2024

Issue: Open GPB 2024

Type: Poster

Authors

Luis Ángel Rodríguez-Lumbreras1, Víctor Monteagudo1, Pablo Carbonell-Bejerano1, Fabian Glaser2, Juan Fernández-Recio1*

1 Instituto de Ciencias de la Vid y del Vino (ICVV), CSIC-UR-Gobierno de La Rioja, Spain
2 Technion Institute of Technology, Israel

Contact the author*

Keywords

AI-based modeling, Seedless grapes, Protein-protein interactions, Mutation impact analysis, Protein structure

Tags

IVES Conference Series | Open GPB | Open GPB 2024

Citation

Related articles…

High-throughput sequencing analysis based on nematode indices revealed healthier soils of organic vineyards 

Proper soil health assessments are crucial for sustainable cropland. Among the widely employed approaches, evaluating nematode community structure is particularly suitable. Traditionally, the taxonomic characterization of soil nematodes has relied on time-consuming morphology-based methods requiring experienced experts. However, molecular tools like high-throughput sequencing have emerged as efficient alternatives. In this study, we performed a metataxonomic analysis of soil samples collected from 57 vineyards in the DOCa Rioja region of Northern Spain, focusing on the impact of organic viticulture and cover cropping compared to integrated pest management (IPM) and tilling practices.

Overview on wine and health 32 years after the French paradox 

Phenolic compounds or polyphenols are the most abundant and ubiquitous secondary metabolites present in the plant kingdom with more than 8000 phenolic structures currently known. These compounds play an important role in plant growth and reproduction, providing protection against biotic and abiotic stress such as pathogen and insect attack, UV radiation and wounding. (poly)phenols are widely distributed in the human diet mainly in plant-derived food and beverages (fruits, vegetables, nuts, seeds, herbs, spices, tea and red wine).

A new chemiluminescence method related to molecules derived from Botrytis cinerea for characterization of Aszu wines from Tokaj, from Hungary

For the chemical characterization of Aszu wines from Tokaj region our aim is to develop a biochemical method which is related to Botrytis cinerea.

Amphora Wines: To Pitch Or Not To Pitch

Amphora wines are known in Portugal as Vinhos de Talha. In this technology, alcoholic fermentation takes place in clay vessels that traditionally were pitched inside using pine pitch. Vinhos de Talha has a distinctive sensorial profile, due to the ancestral technique of vinification. However nowadays, some clay vessels are impermeabilized with other materials than pitch, such as bee wax and mainly epoxy resins.

A worldwide perspective on viticultural zoning

Cet article répertorie les intérêts et problèmes du zonage viticole dans une perspective mondiale. Le zonage est un besoin pour chacun des vignobles mondiaux où il correspond à des applications, définitions et approches variées. Les objectifs du zonage changent de concert avec les besoins du marché mondial du vin, qui ne cesse de croître.