In silico cuticle model for fungicide kinetics simulation
This in silico cuticle model enables precise simulation of fungicide kinetics, integrating cuticle composition and structure to optimize fungicide efficacy on crops like wheat and soybean. It offers a cost-effective method to enhance formulations for improved disease control.
Overview
The proposed in silico cuticle model is designed to simulate and predict the kinetics of fungicides, including absorption, distribution, metabolism, and excretion. By integrating the composition and structure of the cuticle, such as waxes, cutin, thickness, and porosity, this model provides an accurate simulation environment. This technology is particularly beneficial for agricultural applications, optimizing fungicide formulations for crops like wheat and soybean, thereby improving disease control and minimizing environmental impacts. It offers a cost-effective and time-efficient alternative to traditional testing methods by enabling the simulation of numerous compounds to identify potential lead fungicides.
Technical specifications
The model development involves the creation of a 3D simulation incorporating lipid bilayers, wax crystals, and a cutin matrix. It utilizes the physicochemical properties of fungicides, such as solubility and molecular weight, along with cuticle components. The simulation processes include permeation and diffusion analysis using molecular dynamics (MD) or finite element modeling (FEM). This approach focuses on identifying fungicides with optimal diffusion rates and minimal resistance, providing insights for sustainable agricultural practices.
Technology readiness level
The technology is currently at a TRL 2, indicating that the concept has been formulated and initial stages of model development are underway. Future validation steps include data collection, model parameterization, and comparison with experimental results to refine and expand its application to other crops.
About R.V. College of Engineering
RV College of Engineering (RVCE) is an autonomous, self‑financing engineering institution in Bengaluru, affiliated to Visvesvaraya Technological University and accredited NAAC A+. It connects to industry through an active Industry Institute Interaction Cell, 150+ MoUs, and co‑located, industry‑sponsored labs and Centers of Excellence that enable joint training, prototyping, and upskilling on campus. Proximity to Bengaluru’s technology cluster supports internships, capstone co‑supervision, and consultancy engagements throughout the year. Research here is supported by competitive national programs and industry, including DRDO/NRB, AICTE, and ISRO collaborations. An IP Coordination Cell, together with incubation resources and a student‑run Entrepreneurship Development Cell, assists with patenting, licensing, and venture formation.
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