RATIONAL AND SUSTAINABLE DESIGN (RSD) OF MULTICOMPONENT AND SUPRAMOLECULAR SYSTEMS WITH PHARMACEUTICAL AND BIOMEDICAL APPLICATIONS

• Grant number: 25/12428-2
• Support Opportunities: Regular Research Grants
• Start date: November 01, 2025
• End date: October 31, 2027
• Field of knowledge: Interdisciplinary Subjects
• Principal Investigator: Silvia Lucia Cuffini
• Grantee: Silvia Lucia Cuffini
• Host Institution: Instituto de Ciência e Tecnologia (ICT). Universidade Federal de São Paulo (UNIFESP). Campus São José dos Campos. São José dos Campos , SP, Brazil
• City of the host institution: São José dos Campos
• Associated researchers: Helvécio Vinícius Antunes Rocha ; Luiz Alberto Colnago

Abstract

The development of multicomponent solid forms is of growing interest in the pharmaceutical field, aiming to improve the physicochemical properties of Active Pharmaceutical Ingredients (APIs) and bioactive compounds, such as solubility and stability. However, the screening process for the appropriate selection of coformers and solvents is complex, time-consuming, resource-intensive, and also involves considerations regarding the final disposal of chemical waste. Currently, there are over 4,000 potential non-toxic coformers and more than 2,000 solvents (toxic and non-toxic) reported in various handbooks, along with over twenty techniques available for the preparation of multicomponent systems. In this context, it becomes essential to develop more efficient and sustainable methodologies, as there are currently no integrated approaches to simultaneously guide the selection of both coformers and solvents.The method proposed in this project, Rational and Sustainable Design (RSD), will be structured in three main stages: 1-Statistical and thermodynamic prediction of suitable coformers; 2-Calculation of Hansen Solubility Parameters (HSP) for solvents and evaluation based on toxicity criteria established by the International Council for Harmonisation (ICH); 3- Final selection of coformers and solvents by integrating the outcomes of stages 1 and 2. Curcumin (CUR) has been chosen as the model compound to evaluate the RSD approach. Although CUR exhibits several therapeutic properties, its poor water solubility limits its pharmaceutical application. Therefore, this project aims to develop a novel RSD-based methodology for the design and preparation of CUR multicomponent systems, such as cocrystals and eutectic mixtures. These systems will be fully characterized using various solid-state techniques (e.g., X-ray diffraction, calorimetry, microscopy, and spectroscopy) and evaluated for solubility and dissolution performance. This work is expected to result in the development of a sustainable and effective method, thereby enhancing the applicability and therapeutic potential of CUR. (AU)