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…

Digitising the vineyard: developing new technologies for viticulture in Australia 

New and developing technologies, that provide sensors and the software systems for using and interpreting them, are becoming pervasive through our lives and society. From smart phones to cars to farm machinery, all contain a range of sensors that are monitored automatically with intelligent software, providing us with the information we need, when we need it. This technological revolution has the potential to monitor all aspects of vineyard activity, assisting growers to make the management choices they need to achieve the outcomes they want. For example, a future vineyard may possess automated imaging that generates a three dimensional model of the vine canopy, highlighting differences from the desired structure and how to use canopy management to improve fruit composition, or generates maps with yield estimates and measurements of berry composition throughout the growing season.

Growth in global table grape production and consumption is fueled by the introduction of new seedless varieties

Table grape consumption worldwide has experienced a remarkable growth in the first two decades of the 21st century, becoming the third most consumed fresh fruit in some countries, after bananas and apples. This increase has been attributed to several reasons, including the availability of seedless grapes, which has been a key factor in the increase in consumption.

The terroir of Pinot noir wine in the Willamette valley, Oregon – a broad analysis of vineyard soils, grape juice and wine chemistry

Wine-grapes in the Willamette Valley, Oregon, are grown on three major soil parent materials: volcanic, marine sediments, and loess/volcanic.

Metatranscriptomic analysis of “aszú” berries: the potential role of the most important species of the grape microbiota in the aroma of wines with noble rot

Botrytis cinerea has more than 1200 host plants and is one of the most important plant pathogens in viticulture. Under certain environmental conditions, it can lead to the development of a noble rot, which results in a specific metabolic profile, altering physical texture and chemical composition. The other microbes involved in this process and their functional genes are poorly characterised. We have generated metatranscriptomic [1,2] and DNA metabarcoding data from three months of the Furmint grape variety, representing the four phases of noble rot, from healthy berries to completely dried berries.

Use of chitosan as a secondary antioxidant in juices and wines

Chitosan is a polysaccharide produced from the deacetylation of chitin extracted from crustaceous and fungi. In winemaking chitosan is mainly used in the clarification of grape juice and wine, stabilization of white wines, removal of metals and to prevent wine spoilage by undesired microorganisms. The addition of chitosan to model wine systems was able to retard browning, reduce levels of metallic ions (Fe and Cu) and to protect varietal thiols due to its antiradical activity1. The present experiment was planned in order to evaluate the use of chitosan as a secondary antioxidant at three different stages of Sauvignon blanc fermentation and winemaking. Sauvignon blanc juices from three different locations were obtained at a commercial winery in Marlborough, New Zealand. One lots of grapes was collected from a receival bin and pressed into juice with a water-bag press, and a further juice sample was collected from a commercial pressing operation. Chitosan (1 g/L, low molecular weight, 75 – 85% deacetylated) was added to the juice after pressing, after cold settling, after fermentation, or at all these stages. Controls without any chitosan additions were also prepared.