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…

Genotypic variability in root architectural traits and putative implications for water uptake in grafted grapevine

Root system architecture (RSA) is important for soil exploration and edaphic resources acquisition by the plant, and thus contributes largely to its productivity and adaptation to environmental stresses, particularly soil water deficit. In grafted grapevine, while the degree of drought tolerance induced by the rootstock has been well documented in the vineyard, information about the underlying physiological processes, particularly at the root level, is scarce, due to the inherent difficulties in observing large root systems in situ. The objectives of this study were to determine genetic differences in the root architectural traits and their relationships to water uptake in two Vitis rootstocks genotypes (RGM, 140Ru) differing in their adaptation to drought. Young rootstocks grafted upon the Riesling variety were transplanted into cylindrical tubes and in 2D rhizotrons under two conditions, well watered and moderate water stress. Root traits were analyzed by digital imaging and the amount of transpired water was measured gravimetrically twice a week. Root phenotyping after 30 days reveal substantial variation in RSA traits between genotypes despite similar total root mass; the drought-tolerant 140Ru showed higher root length density in the deep layer, while the drought-sensitive RGM was characterised by shallow-angled root system development with more basal roots and a larger proportion of fine roots in the upper half of the tube. Water deficit affected canopy size and shoot mass to a greater extent than root development and architectural-related traits for both 140Ru and RGM, suggesting vertical distribution of roots was controlled by genotype rather than plasticity to soil water regime. The deeper root system of 140Ru as compared to RGM correlated with greater daily water uptake and sustained stomata opening under water-limited conditions but had little effect on above-ground growth. Our results highlight that grapevine rootstocks have constitutively distinct RSA phenotypes and that, in the context of climate change, those that develop an extensive root network at depth may provide a desirable advantage to the plant in coping with reduced water resources.

Empreinte carbone et environnementale du vin en France : chiffres d’impact et bonnes pratiques à mettre en œuvre

Increasing concentrations of greenhouse gases (GHGs) in the atmosphere due to human activities are leading to a rise in the average temperature of the atmosphere. among the scenarios established by the un’s intergovernmental panel on climate change (IPCC), only two enable us to achieve the minimum objective of the paris agreements signed at cop 21 in 2015: staying below +2°c after 2050. both scenarios forecast a rapid reduction in GHG emissions as early as 2025, thanks to strong international cooperation, the priority given to sustainable development and responsible consumer choices.

Assessment of the optimal number of observations in the study of vineyard soil (Rigosol)

A study of soil pH on the experimental field resulted in a high variability of pH on a very small scale. This kind of heterogenity in soil pH have effects on growth of two grapevine varieties on rootstock Kober 5BB

INFLUENCE OF GRAPE RIPENESS ON MACROMOLECULES EXTRACTABILITY FROM GRAPE SKIN TISSUES AND GRAPE SEEDS DURING WINEMAKING

A consequence of climate change is the modification of grape harvest quality and physico-chemical parameters of the obtained wine: increase in alcoholic degree, decrease in pH, and modification of the extractability of macromolecules, which leads to problems of microbiological, tartaric, colour and colloidal stability. In order to respond to these problems, the winemaking processes must be anticipated and adapted with a better knowledge of macromolecule extractability in grapes and their evolution, according to the grape variety, vintage and winemaking process. The purpose of this study was to understand 1) how the harvest date can influence the extractability of macromolecules, polysaccharides and phenolic compounds, which are responsible for wine stability 2) how to adapt the winemaking process to the harvest date in order to optimise wine quality.

Exploring aromatic profiles and environmental influences on berry chemistry of V. vinifera Riesling and Vitis sp. L’Acadie blanc in Quebec and Nova Scotia, Canada

Wine quality depends on grape biochemical constituents, including sugars, organic acids, amino acids, and bound and free aroma compounds, which are influenced by vineyard location and environmental factors such as temperature and precipitation [1].