Drug release metadynamics simulations with natural micro- and nanostructured excipients

Project description

Development of new drug delivery systems

Finding the most efficient compounds to modify the release kinetics profiles of drugs in the body is one of the challenges in the pharmaceutical industry. The research on adsorption and diffusion of organic compounds on the surface or inside clay nanoparticles is highly relevant. The EU-funded METADRUG project aims to apply a unique enhanced sampling metadynamics computational tool to analyse and predict the pharmaceutical properties of the drug–compound interaction. A computational strategy will be defined to reproduce known drug release kinetics in drug–clay complexes followed by a program to predict unknown release kinetics of relevant drugs from laminar, porous and nanotubular clays, contributing to the development of new drug delivery systems and novel analysis methods in pharmaceutical technology.

Fields of science

• natural sciences › chemical sciences › organic chemistry
• medical and health sciences › basic medicine › pharmacology and pharmacy › pharmaceutical drugs
• natural sciences › chemical sciences › physical chemistry › quantum chemistry
• social sciences › economics and business › business and management › employment

Programme(s)

• H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions Main Programme
• H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility

Topic(s)

• MSCA-IF-2019 - Individual Fellowships

Call for proposal

H2020-MSCA-IF-2019

See other projects for this call

Funding Scheme

MSCA-IF-EF-ST - Standard EF

Coordinator

FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA

Net EU contribution

€ 171 473,28

Address

Via Morego 30
16163 Genova
Italy

Region

Nord-Ovest › Liguria › Genova

Activity type

Research Organisations

Links

Other funding

€ 0,00