Work

Molecular Dynamic Simulation of the Dissociation of Acetylsalicylic Acid with Different Co-Crystals

Year: 2025

Type: conference-paper

Abstract: Adding co-crystals to a drug is a viable technique used in the field of pharmacology to improve the dissociation of a target drug. In our project, we examined the rate of dissolution of Acetaminophen using molecular dynamic (MD) simulations, and how it varies when different co-crystals are added in. We will specifically be using oxalate and citrate. The goal of this project is to be able to determine how different co-crystals interact with Acetaminophen to be able to predict similar interactions in the future. The results will be useful for pharmaceutical research and drug development.

Source: Loyola eCommons (Loyola University of Chicago)

Authors: Reina, Alex, Thompson, Lauren, Sunkara, Divya, Olsen, Kenneth

Language: English

Topic: Crystallization and Solubility Studies

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W6992921297

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