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…

Role of PH and its management during vinification on the extraction during maceration and on the evolution during ageing of the phenolic compounda of red wine

Climatic changes cause significant variations in the composition of grapes. for red grapes, a mismatch between phenolic and technological ripening is often observed. There is also often a marked increase in pH and a reduction in fixed acids, which affect the stability and evolution of the wine during ageing. These experiments will provide more information on the role of pH during the winemaking of red wines on the extraction and evolution of phenolic compounds.

Teinturier grapes: Valorization as a source of high-value compounds for the Chilean food industry

The agri-food industry is constantly searching for ingredients of high functional value, healthy and of natural origin. One species of particular interest is Vitis vinifera, due to its recognized antioxidant potential. Among the grape varieties, one group possesses these antioxidant compounds not only in the skin, but also in its pulp: Teinturier. The red grape has traditionally been used for color correction purposes in winemaking, however, its high antioxidant content transforms it into a raw material of high potential for new formulations of ingredients and foods for the health and wellness market.

Viticultural zoning of the country of Mendoza, Argentina. Study of the first zone : department of Luján de Cuyo. Statement of the study year 2002

La région viticole de Mendoza est la principale zone vitivinicole d’Argentine qui se compose de 3 oasis (Nord, Valle de Uco, Sud). La première zone vitivinicole, située dans l’oasis Nord, est composée par les département de Luján de Cuyo et Maipu. C’est la zone de production la plus ancienne et la plus reconnue pour la qualité de sa production. Ce travail se porte plus particulièrement sur le département de Luján de Cuyo qui constitue le lieu traditionnel de production du Malbec argertin. Ce travail propose de caractériser les terroirs et de mettre en avant leurs typicités.

Measurement of redox potential as a new analytical winegrowing tool

Excell laboratory has initiated the development of an analytical method based on electrochemistry to evaluate the ability of wines to undergo or resist to oxidative phenomena. Electrochemistry is a powerful tool to probe reactions involving electron transfers and offers possibility of real-time measurements. In that context, the laboratory has implemented electrochemical analysis to assess oxidation state of different wine matrices but also in order to evaluate oxidative or reduced character of leaf and soil. Initially, our laboratory focused on dosage of compounds involved in responses of plant stresses and we were also interested in microbiological activity of soils. These analyses were compared with the measurement of redox potential (Eh) and pH which are two fundamental variables involved in the modulation of plant metabolism. Indeed, the variation of redox states of the plant reflects its biological activity but also its capacity to absorb nutriments. The Eh-pH conditions mainly determine metabolic processes involved in soil and leaf and our goal is to determine if this combined analytical approach will be sufficiently precise to detect biological evolutions (plant health, parasitic attack…).

Field performance of red and white “pilzwiderstandsfähige” (PIWI) cultivars in the south of Uruguay

As knowledge about the oenological potential of disease-tolerant grape varieties (PIWI) continues to grow and consumer demand for product safety and sustainable production increases, more governments worldwide are permitting the cultivation of these varieties [1].