Targeting SUMOylation with Anacardic Acid Derivatives: Novel Insights into EGF Pathway Dysregulation in Cancer Using an In Silico Approach.

ABSTRACT: SUMOylation is a critical post-translational modification pathway implicated in various ailments, such as diabetes, neurodegenerative disorders, infectious diseases, and cancer. Dysregulation of SUMOylation affects different hallmarks of cancer, including metastasis, angiogenesis, invasion, and proliferation, making it an important therapeutic target. While anacardic acid (AA) has been shown to inhibit the essential SUMO E1 enzyme (IC50 = 2.1 μM), its clinical potential is limited by high lipophilicity and poor bioavailability, stemming primarily from its C15 alkyl chain. This study is therefore aimed at identifying AA derivatives with improved druggability. Using Mcule, 129 AA derivatives were generated and subjected to molecular docking against SUMO E1, which yielded 61 potential inhibit

SUBMITTER: Padmakumar S 

PROVIDER: S-EPMC12658823 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature