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Computational Drug Discovery Pipeline Enhances Healthy Aging Therapeutics, indicating significant advancements in treatment options.
We present a complete computational drug discovery pipeline for healthy aging therapeutics, combining GPU-accelerated molecular screening with IBM Quantum Processing Unit (QPU) validation. Starting from 211,008 ZINC-database molecules screened on a solar-powered NVIDIA RTX 3060, we identified 200 Lipinski-compliant candidates. Eight lead molecules were validated on IBM Quantum hardware (ibm_fez, 156 qubits) using a Ghost Batch method. Our lead novel compound ZINC000220140835 (PDE4D inhibitor candidate, BBB+, SA=2.21, 0 PAINS) achieved SCI vs control delta=+0.4940 on ibm_fez (Job ID: d7j6ngkolufs73et7vl0), exceeding the IBM-validated PDE4i-Aurora reference by +0.3439. The best multi-modal combination (Fisetin + Metformin + Dexibuprofen + Hyaluronate-Ascorbate) covers all three XPRIZE Healthspan domains (muscle, cognitive, immune) with 9 verifiable IBM Quantum job IDs. All computation performed off-grid on solar energy, Lancaster CA. Entity: Maxwell Energy Systems LLC (CA LLC #B20260177276).
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Cruz Sanchez (2026) studied this question.
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