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Unlocking the Potential of Quantum Computing Part I – Advancements, Challenges, and Growing Industry Adoption
Quantum computing is transforming drug discovery and biotechnology by offering unprecedented computational power. Unlike traditional molecular mechanics (MM) methods, which struggle with modeling electron-based properties, quantum mechanical (QM) methods provide more accurate simulations of chemical and biological interactions. However, QM approaches have historically been limited by high computational costs. Despite these challenges, 6 companies are now integrating quantum computing into their research, demonstrating its growing role in pharmaceutical innovation.
Aqemia Utilizing Quantum-Inspired AI Accelerating Structure-Based Drug Design
Aqemia, a spin-off of École Normale Supérieure, applies quantum and artificial intelligence (AI) to structure-based drug design. Founded by Dr. Maximilien Levesque, the company leverages a quantum-inspired statistical mechanics algorithm that predicts compound-target affinity with high accuracy and at speeds 10,000 times faster than competitors. Its AI system continuously refines compound generation based on feedback from affinity predictions. In February 2022, Aqemia partnered with Janssen for a pilot study using its quantum-driven technology to predict small molecule potency through physics-based calculations.
Hafnium Labs Developing High-Precision Simulation Software for Predicting Physical Properties
Founded in 2018 in Denmark, Hafnium Labs is an early-stage research startup developing high-precision simulation software for predicting physical properties of pure components, mixtures, and electrolytes. Its two products, Q-props and Epsilon, integrate quantum chemistry, artificial intelligence (AI), and cloud computing to enhance predictive accuracy. By leveraging cloud-based computation, the company aims to accelerate drug discovery, materials development, and process optimization. Hafnium Labs operates on a pay-per-use business model, which it claims is more affordable than traditional license-based software pricing.
Kuano Quantum-Based Solutions for Enzyme Design to Target Next-Generation Enzyme Inhibitors
Founded in early 2020 in the UK, Kuano is a startup developing AI and quantum-based solutions for enzyme design, focusing on specificity, potency, and resistance. Its research platform integrates structural data on target enzymes or catalytic sites with quantum simulation and quantum-inspired AI to enhance drug discovery. Kuano has in-house programs in epigenetics, protein degradation, immuno-metabolism, and infectious diseases, while also collaborating with partners to develop next-generation enzyme inhibitors for clinically and commercially validated targets.
Menten AI Creating Quantum-Optimized Protein Design Algorithm
Menten AI, a Canadian start-up founded in 2018, develops a machine learning and software platform for protein design. The company employs proprietary quantum optimization algorithms, which it claims can improve drug discovery accuracy while reducing costs and development time. Menten AI’s team created the first protein design algorithm compatible with current and near-term quantum computers. The company asserts it can complete a design cycle, from target selection to in vivo efficacy, in under six months. Its drug pipeline is currently focused on peptide therapeutics for indications with high unmet medical needs.
Pharmacelera Leveraging PharmScreen and PharmQSAR with CoMFA/CoMSIA Studies
Pharmacelera is leveraging quantum theory through its two main software packages, PharmScreen and PharmQSAR. PharmScreen uses a high-precision 3D ligand-alignment algorithm based on interaction fields to provide accurate ligand-based virtual screening, generating a higher rate of diversity among leads compared to traditional methods. PharmQSAR, a 3D quantitative structure-activity relationship (QSAR) tool, combines multiple fields of interaction to conduct CoMFA/CoMSIA studies.
These studies aim to analyze the relationship between the 3D structure of molecules and their biological activity by examining the spatial arrangement of chemical features and interactions. The goal is to identify key structural characteristics that influence binding affinity, optimize lead compounds, and improve the design of drugs with higher potency and specificity while minimizing undesirable side effects.
POLARISqb Tachyon Platform Enabling Distributed Molecular Design and Large-Scale Chemical Library Searches
POLARISqb’s core technology is the Tachyontm drug design platform, which enables distributed molecular design work across the cloud, managed by an automated process that allows for large chemical library searches and parallel project execution. POLARISqb claims its proprietary software can significantly accelerate drug design and deliver higher-quality leads, with its Tachyontm system adaptable to multiple diseases and indications. In 2020, the company partnered with Fujitsu to develop a research platform for accelerating the discovery of treatments for Dengue fever and other conditions. In 2021, POLARISqb collaborated with Auransa to focus on neglected women’s diseases, and in 2022, it entered a partnership with PhoreMost to apply quantum computing in the search for new cancer therapies.
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