Journal: Aging Cell
Article Title: ElixirSeeker : A Machine Learning Framework Utilizing Fusion Molecular Fingerprints for the Discovery of Lifespan‐Extending Compounds
doi: 10.1111/acel.70116
Figure Lengend Snippet: External database screening and validation of candidate compounds in C. elegans . (A) Left: Density distribution plots of prediction scores for three compound libraries (FDA‐approved: Green, Sellect Bioactive: Yellow, Traditional Chinese Medicine: Pink). Middle: Aggregated density distribution of all screened compounds ( n = 13,974), with the top 2% threshold (score > 0.57) marked by a dashed line. Right: Chemical structures of six prioritized candidates. (B) Schematic of heat shock assay protocol. Synchronized young adult nematodes were treated with compounds until Day 5 post‐synchronization, followed by acute thermal stress at 35°C until mortality. (C–E, G–I) Kaplan–Meier survival curves under heat shock for (C) Polyphyllin VI, (D) α‐Hederin, (E) 7β‐Hydroxylathyrol, (H) Thymoquinone, (I) Medrysone, and (J) Praeruptorin C. p values derived from log‐rank test; N indicates sample size per group. (F) Schematic of lifespan assay. Young adult nematodes were continuously exposed to compounds until natural death. (J–O) Kaplan–Meier lifespan curves for (J) Polyphyllin VI, (K) α‐Hederin, (L) 7β‐Hydroxylathyrol, (M) Thymoquinone, (N) Medrysone, and (O) Praeruptorin C. p values calculated by log‐rank test; Censored data (lost animals) are excluded from analysis. The control groups (CT) shown in the figures were treated with DMSO solvent at concentrations identical to those in the corresponding experimental groups.
Article Snippet: Our screening process included three compound libraries: the FDA approved library (TargetMol, USA, L1010), the Sellect Bioactive compound library (Selleckchem, Houston, TX, USA, L1700), and a Traditional Chinese Medicine compound library (Chengdu Biopurify Phytochemicals Ltd.), which contained 3151, 9109, and 1988 small molecules, respectively.
Techniques: Biomarker Discovery, Derivative Assay, Control, Solvent
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