Synthesis, prospection and theoretical study of multicomponent solid forms of caffeic acid

• Grant number: 23/10545-6
• Support Opportunities: Scholarships abroad - Research Internship - Scientific Initiation
• Start date: December 01, 2023
• End date: February 29, 2024
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Analytical Chemistry
• Principal Investigator: Flávio Junior Caires
• Grantee: Maria Vitória Porto
• Supervisor: Mario Tulio dos Santos Rosado
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil
• Institution abroad: Universidade de Coimbra (UC), Portugal
• Associated to the scholarship: 23/00909-0 - Mechanochemical synthesis, characterization and solubility evaluation of multicomponent solid forms of snake-inhibiting polyphenolic acids, BP.IC

Abstract

Snake bites are a global health problem, responsible for millions of cases and a large number of deaths. As a result, new ways of inhibiting the protein phospholipase A2 (PLA2) toxin were sought, thus it was planned that compounds found in medicinal plants such as polyphenols are effective in deactivating the poison. Caffeic acid is a polyphenol with antimicrobial, anti-inflammatory, antioxidant and cardioprotective effects, however, it is in class II of the Biopharmaceutical Classification System (BCS), having a low solubility, which makes it an obstacle to the application of this compound in the extent of myotoxins. In this way, we had new approaches for the optimization of solubility, such as the investigation of new multicomponent solids, cocrystals, salts, polymorphs and the development of single crystals, to obtain compounds with a higher degree of purity. With this, the project aims at the study and synthesis of new solid forms of caffeic acid, using the mechanochemical method, liquid-assisted milling, liquid-assisted milling (LAG), cryo-milling and solvent evaporation. The characterization of precursors and systems will be performed using Differential Scanning Calorimetry (DSC); X-Ray Powder Diffraction (DRXP) and Infrared Spectroscopy (IRATR); Thermal Polarized Light Microscopy (PLTM) and analysis of the satisfactory using computational chemistry tools. (AU)