Phytochemicals from <i>Euclea natalensis</i> Modulate Th17 Differentiation, HIV Latency, and Comorbid Pathways: A Systems Pharmacology and Thermodynamic Profiling Approach.

ABSTRACT: HIV/AIDS remains a major global health challenge, with immune dysfunction, chronic inflammation, and comorbidities sustained by latent viral reservoirs that evade antiretroviral therapy. Euclea natalensis, a medicinal plant widely used in Southern African ethnomedicine, remains underexplored for its potential against HIV. An integrative systems pharmacology and molecular modeling framework was employed, including ADME profiling, target mapping, PPI network analysis, GO and KEGG pathway enrichment, BA-TAR-PATH analysis, molecular docking, MD simulations, and MM/GBSA calculations, to investigate the mechanistic roles of E. natalensis phytochemicals in HIV pathogenesis. Sixteen phytochemicals passed ADME screening and mapped to 313 intersecting host targets, yielding top ten hub

SUBMITTER: Oduro-Kwateng E 

PROVIDER: S-EPMC12472539 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature