The molecular mechanisms of Abyssinone-I protect against Alzheimer’s disease: an in-silico study

Author:

Nguyen Hai DucORCID

Abstract

AbstractThere is limited available information regarding the biological activity of Abyssinone-I, apart from its recognized antioxidant and cytotoxic properties. So, we aimed to evaluate the molecular processes underlying the promising effect of Abyssinone-I on Alzheimer’s disease (AD). The Swiss Target Predictor, GeneCard, GeneMania, Metascape, SwissADME, Cytoscape, the Panther classification system, MIENTURNET, WebGestalt, PASS online, Autodock Vina, and molecular dynamic simulation were the main methods for this analysis. Abyssinone-I exhibits antioxidative, anti-inflammatory, and MAO inhibitory activities and maintains membrane integrity. These properties may target 79 proteins, four miRNAs (hsa-miR-128-3p, hsa-miR-124-3p, hsa-miR-16-5p, and hsa-miR-335-5p), three transcription factors (PPARG, MEF2B, and MYBL2), and two chromosomes (chr9q22.2, chr12q24.12). Key pathways affected include the amyloid-beta response, protein autophosphorylation, and dopamine metabolism. Among these, five hub targets (PPARG, mTOR, EGFR, ESR1, and MAPK1) were highlighted for their significant roles in AD pathogenesis. Despite its promising properties, abyssinone-I has low bioavailability and may interact with other drugs. Future in vivo and in vitro studies are necessary to validate these findings and optimize therapeutic usage. This study provides a foundation for Abyssinone-I as a potential AD treatment, pending further experimental confirmation. Graphical Abstract

Publisher

Springer Science and Business Media LLC

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