Geraniol and Citronellal as Potential Inhibitors of Fusobacterium nucleatum: A Computational Study

Abstract

Fusobacterium nucleatum is associated with a wide range of oral and systemic infections, and the availability of effective inhibitors remains limited. The present
study aimed to evaluate the inhibitory potential of two naturally occurring phytocompounds, geraniol and citronellal, against Fusobacterium nucleatum using
computational approaches. Molecular docking analysis demonstrated that both compounds exhibit favorable binding interactions with the target protein.
Citronellal showed comparatively higher binding affinity than geraniol, suggesting stronger inhibitory potential. ADMET analysis revealed that both compounds
possess desirable pharmacokinetic properties, including high gastrointestinal absorption and acceptable bioavailability. These findings indicate that geraniol and
citronellal may serve as promising therapeutic candidates against Fusobacterium nucleatum. However, further experimental validation is required to confirm
their efficacy and safety.