Cheminformatics

We apply cheminformatics methods to analyze and understand the chemical composition of compounds in spices. Spices are plant-derived products that are used for their flavor, aroma, and medicinal properties, and they are composed of a complex mixture of bioactive compounds, including alkaloids, flavonoids, terpenoids, and phenolic compounds. Cheminformatics studies in the Bioinformatics Centre involves the use of various computational tools and techniques, such as molecular docking, machine learning, and molecular dynamics simulations, to analyze and predict the interactions between spice compounds and biological targets. By analyzing the chemical structure and properties of spice compounds, we aim to develop new spice-based products with improved efficacy and safety. We are also looking into the application of cheminformatics in food and flavor industry where we predict and optimize the sensory properties of spice blends and develop new flavor combinations.