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Designing type V deep eutectic solvents with antimalarial pharmaceutical ingredients.

Gabriel Teixeira1, Paula Brandão1, Ana I M C Lobo Ferreira2

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Researchers explored deep eutectic solvents using active pharmaceutical ingredients and excipients to improve drug solubility. They identified new cocrystals and confirmed negative deviations from ideality in nine systems, advancing drug formulation science.

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Area of Science:

  • Pharmaceutical Science
  • Materials Science
  • Physical Chemistry

Background:

  • Active pharmaceutical ingredients often face challenges with solubility, bioavailability, and permeability.
  • Deep eutectic solvents (DESs) offer a promising approach to overcome these limitations.
  • Developing novel DESs requires careful selection of drug and excipient components.

Purpose of the Study:

  • To investigate the formation of deep eutectic solvents using specific active pharmaceutical ingredients and potential excipients.
  • To address challenges related to drug solubility, bioavailability, and permeability through DES formulation.
  • To screen and identify promising excipients for drug delivery applications.

Main Methods:

  • Preliminary screening of excipients using the COSMO-RS thermodynamic model.
  • Experimental measurement of nine solid-liquid equilibrium (SLE) phase diagrams using visual melting and differential scanning calorimetry.
  • Characterization of new cocrystals using powder and single crystal X-ray diffraction.
  • Thermodynamic modeling of SLE diagrams with COSMO-RS (TZVP and TZVPD-FINE parametrizations).

Main Results:

  • Three excipients (thymol, propyl gallate, butylated hydroxyanisole) were identified as promising.
  • All nine studied systems exhibited negative deviations from thermodynamic ideality.
  • Four novel cocrystals were discovered and structurally verified.
  • COSMO-RS modeling showed variable accuracy between the TZVP and TZVPD-FINE parametrizations.

Conclusions:

  • Deep eutectic solvents can be effectively formed with selected active pharmaceutical ingredients and excipients.
  • The study identified new cocrystals and provided insights into the thermodynamic behavior of these systems.
  • Further research can leverage these findings for improved drug formulation and delivery.