{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Yang M"],"funding":["GBA Institute of Collaborate Innovation","Shenzhen Science and Technology Innovation Committee","Hong Kong Innovation Technology Fund","The Key-Area Research and Development Program of Guangdong Province","Zhongshan Municipal Bureau of Science and Technology","Guangzhou Science and Technology Committee Research Grant","Hong Kong Research Grants Council Hong Kong","Hong Kong RGC Theme based Research Scheme","Special project of Foshan University of Science and Technology in 2019"],"pagination":["8500"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12428957"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["26(17)"],"pubmed_abstract":["Alzheimer's disease (AD) is characterized by amyloid-beta (Aβ) plaque accumulation and neurodegeneration. This study identified gyrophoric acid, a lichen-derived phenolic metabolite, as a dual-action Aβ42 inhibitor preventing aggregation and disassembling of mature Aβ42 fibrils. Integrated in silico studies revealed that gyrophoric acid was a strong thermodynamic stabilizer of Aβ42 (MM-GBSA: -27.3 kcal/mol) via entropically driven hydrophobic interactions and disruption of aggregation-prone conformations (100 ns MD simulations). Through biochemical analysis of the fluorescent dye thioflavin T (ThT), gyrophoric acid induced rapid Aβ42 fibril disassembly within 5 h, with time-lapse confocal microscopy quantitatively confirming the near-complete dissolution of large aggregates by 24 h. ADMET "],"journal":["International journal of molecular sciences"],"pubmed_title":["The Identification of Gyrophoric Acid, a Phytochemical Derived from Lichen, as a Potent Inhibitor for Aggregation of Amyloid Beta Peptide: In Silico and Biochemical Evaluation."],"pmcid":["PMC12428957"],"funding_grant_id":["HMRF20SC07","2019AG035","2020B1111110006","GZSTI16SC02; GZSTI17SC02","PD18SC01","FSUST19-SRI10","ITS/500/18FP; MHP/004/21; GHP/016/21SZ; ITCPD/17-9; ITC-CNERC14SC01","ZDSYS201707281432317","GICI022","AFD20SC01","GRF 16100921","HMRF18SC06","TUYF19SC02","T13-605/18-W"],"pubmed_authors":["Dong TT","Leung KW","Lai QWS","Yang M","Hu H","Xu Q","Gao J","Eshboev F","Tsim KWK"],"additional_accession":[]},"is_claimable":false,"name":"The Identification of Gyrophoric Acid, a Phytochemical Derived from Lichen, as a Potent Inhibitor for Aggregation of Amyloid Beta Peptide: In Silico and Biochemical Evaluation.","description":"Alzheimer's disease (AD) is characterized by amyloid-beta (Aβ) plaque accumulation and neurodegeneration. This study identified gyrophoric acid, a lichen-derived phenolic metabolite, as a dual-action Aβ42 inhibitor preventing aggregation and disassembling of mature Aβ42 fibrils. Integrated in silico studies revealed that gyrophoric acid was a strong thermodynamic stabilizer of Aβ42 (MM-GBSA: -27.3 kcal/mol) via entropically driven hydrophobic interactions and disruption of aggregation-prone conformations (100 ns MD simulations). Through biochemical analysis of the fluorescent dye thioflavin T (ThT), gyrophoric acid induced rapid Aβ42 fibril disassembly within 5 h, with time-lapse confocal microscopy quantitatively confirming the near-complete dissolution of large aggregates by 24 h. ADMET ","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-04-08T19:15:06.142Z","creation":"2026-04-08T12:08:45.742Z"},"accession":"S-EPMC12428957","cross_references":{"pubmed":["40943421"],"doi":["10.3390/ijms26178500"]}}