What question did this study set out to answer?

The aim is to develop an effective drug discovery pipeline for therapeutics that promote healthy aging.

April 22, 2026Open Access

Quantum-Validated Multi-Modal Therapeutics for Healthy Aging: A GPU-to-QPU Drug Discovery Pipeline with IBM Quantum Evidence

Key Points

The aim is to develop an effective drug discovery pipeline for therapeutics that promote healthy aging.
Utilized GPU-accelerated molecular screening for 211,008 candidates from the ZINC database.
Validated lead molecules on IBM Quantum hardware using the Ghost Batch method.
Identified multi-modal combinations targeting muscle, cognitive, and immune health.
Identified 200 Lipinski-compliant candidates, with 8 leads validated on IBM Quantum.
Novel compound ZINC000220140835 showed significant efficacy, exceeding the reference PDE4i-Aurora by +0.3439.
The best combination covered all three XPRIZE Healthspan domains.

Abstract

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 (ibmfez, 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 ibmfez (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).

Quantum-Validated Multi-Modal Therapeutics for Healthy Aging: A GPU-to-QPU Drug Discovery Pipeline with IBM Quantum Evidence

Key Points

Abstract

Cite This Study