Multidrug Co-Crystals and Drug-Drug Salts: Quinine and NSAIDs as Pharmaceutical Hybrids

Description/Abstract/Artist Statement

Quinine is an antimalarial medication without an antipyretic effect. Due to the prevalence of fevers in malaria infections, there is a vast potential for the implementation of new treatments using quinine, a compound with basic properties, in combination with nonsteroidal anti-inflammatory drugs (NSAIDs), many of which have acidic functional groups. This project will design new crystalline combinations of quinine with NSAIDs using the ΔpKa rule. The pKa values will be extracted from scientific literature or calculated with MarvinSketch software. The new materials will be synthesized by mechanochemistry in a ball mill using the liquid-assisted grinding (LAG) method. The identification of new crystal phases will be carried out by X-ray powder diffraction, and crystal structure determination will be done using X-ray single-crystal diffraction. The intermolecular interactions, crystal packing, and hydrogen bonding motifs will be analyzed. The results will be supported by elemental composition, optical microscopy, and other solid-state techniques such as FT-IR spectroscopy, thermogravimetry, and differential scanning calorimetry. The aqueous solubility and pH of the solutions will be additionally measured. This study will focus on five or more of the following NSAIDs: salicylsalicylic, mefenamic, fenamic, tolfenamic, and anthranilic acids, naproxen, diclofenac, ibuprofen, diflunisal, and ketoprofen.

Presenting Author Name/s

Sarah Chapin

Faculty Advisor/Mentor

Silvina Pagola

Faculty Advisor/Mentor Department

Chemistry and Biochemistry

College Affiliation

College of Sciences

Presentation Type

Poster

Disciplines

Materials Chemistry | Medicinal-Pharmaceutical Chemistry

Session Title

Poster Session

Location

Learning Commons Lobby @ Perry Library

Start Date

3-30-2024 8:30 AM

End Date

3-30-2024 10:00 AM

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Mar 30th, 8:30 AM Mar 30th, 10:00 AM

Multidrug Co-Crystals and Drug-Drug Salts: Quinine and NSAIDs as Pharmaceutical Hybrids

Learning Commons Lobby @ Perry Library

Quinine is an antimalarial medication without an antipyretic effect. Due to the prevalence of fevers in malaria infections, there is a vast potential for the implementation of new treatments using quinine, a compound with basic properties, in combination with nonsteroidal anti-inflammatory drugs (NSAIDs), many of which have acidic functional groups. This project will design new crystalline combinations of quinine with NSAIDs using the ΔpKa rule. The pKa values will be extracted from scientific literature or calculated with MarvinSketch software. The new materials will be synthesized by mechanochemistry in a ball mill using the liquid-assisted grinding (LAG) method. The identification of new crystal phases will be carried out by X-ray powder diffraction, and crystal structure determination will be done using X-ray single-crystal diffraction. The intermolecular interactions, crystal packing, and hydrogen bonding motifs will be analyzed. The results will be supported by elemental composition, optical microscopy, and other solid-state techniques such as FT-IR spectroscopy, thermogravimetry, and differential scanning calorimetry. The aqueous solubility and pH of the solutions will be additionally measured. This study will focus on five or more of the following NSAIDs: salicylsalicylic, mefenamic, fenamic, tolfenamic, and anthranilic acids, naproxen, diclofenac, ibuprofen, diflunisal, and ketoprofen.