H. Alvarado-Alvarez, A. J. Gutiérrez-Chávez, J. E. Mejía-Benavides, E. Díaz-Cervantes

Abstract: In silico drug design is a state-of-the-art tool in medicinal chemistry that uses molecular docking to determine the optimal interaction pose of a ligand with a macromolecule, such as a protein. This approach employs computer simulations to efficiently identify potential drug candidates, reducing testing and development time, costs, and resource consumption. Chlamydophila abortus is an obligate intracellular bacterial parasite that causes abortions in several mammals, particularly in livestock, leading to significant economic losses and posing a risk to human health as a zoonotic disease. In this study, we present the results of molecular docking experiments to evaluate a new treatment option using encapsulated liposomes. Our findings suggest that ligand efficiency indicates the use of liposomes can promote controlled drug delivery.

Keywords: Liposome, Chlamydophila abortus, abortion, nanomedicine, docking.

Date Published: June 23, 2025
DOI: 10.11159/jbeb.2025.001

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