Small Molecules, Big Opportunity: Chinese Researchers Use Quantum Computers to Explore Small Molecule Drug Development

Insider Brief

• Bengbu Medical University and Origin Quantum are collaborating to leverage quantum computing for enhancing the precision and speed of small molecule drug design, addressing computational bottlenecks.
• The initiative aims to accurately model molecular interactions, which are crucial for developing effective small molecule therapies.
• This approach could streamline the discovery process, potentially leading to faster development of new, targeted treatments.

Bengbu Medical University (BMU) in Anhui Province, China, has partnered with Origin Quantum Computing Technology Co., Ltd., to use quantum computing in the development of small molecule drugs, a Chinese news service is reporting.

This collaboration represents another step in exploring the viability of quantum computers in drug design — and could bring fresh perspectives to pharmaceutical research and development. Drug development, in general, is a particularly interesting use case for quantum.

The agreement between BMU and Origin Quantum, as reported by the Science and Technology Daily and attributed to Xinhua News Agency, focuses on creating a quantum-computing-powered application for molecular docking. Molecular docking, a crucial process in drug design, involves finding matching pairs of small molecules and target proteins to enable effective therapeutic interactions, the news service reports.

Traditionally, molecular docking relies on high-performance computer clusters that, despite their power, are often limited by slow processing speeds and imprecise calculations. Quantum computing, with its ability to process vast amounts of data at unprecedented speeds, presents a promising solution to these types of limitations.

Origin Quantum’s team has developed a suite of applications based on their Origin Wukong, a third-generation superconducting quantum computer. These applications are designed to predict the properties of drug molecules and their interactions with target proteins, laying the groundwork for more efficient and innovative drug design.

“This will lay a solid foundation for the design of small molecule drugs, accelerate the development of innovative drugs, and promote progress in the life sciences sector,” said Dou Menghan, vice director of the Quantum Computing Engineering Research Center of Anhui Province, as reported by the news agency.

The Rising Interest in Small Molecule Drugs

Small molecule drugs are increasingly capturing the attention of medical researchers due to their unique ability to navigate biological barriers and interact with intracellular targets. Unlike larger biological molecules, these drugs can easily penetrate cell membranes, allowing them to reach and affect a wide array of cellular functions, according to AstraZeneca. This capability makes them particularly useful in treating conditions where precise intracellular targeting is crucial.

AstraZeneca currently is conducting research aimed at developing new therapies by exploring the modulation of RNA to influence disease-related biological pathways. This approach has potential applications for previously undruggable targets. According to the pharmaceutical company, in a study conducted in collaboration with Dr. Matthew Disney’s lab at Scripps Research in the U.S., and published in Nature Chemistry, researchers discovered small molecules that can restart the production of vascular endothelial growth factor A (VEGF-A) in cellular models. VEGF-A plays a crucial role in repairing blood vessels and muscle tissue in damaged hearts, which could lead to improved blood flow and tissue recovery.

As drug design evolves, the precision and efficiency offered by quantum computing could one day enhance the development of small molecule therapies.

Small molecules, which must fit and interact with specific protein targets within the body, would require highly detailed simulations to predict their behavior and efficacy. These simulations involve complex quantum mechanical calculations, which are computationally intensive and difficult for classical computers to perform efficiently.

The researchers suggest that quantum computing holds promise in small molecule research because of its ability to perform complex calculations at speeds far beyond traditional computers. This capability allows researchers to more accurately model molecular interactions, leading to faster and more precise drug design.

Xinhua News Agency

Xinhua News Agency serves as the official state news agency of the People’s Republic of China. Established in 1931, Xinhua operates as a ministry-level institution under the State Council, making it the largest and most influential media organization in China.

Beyond its role as a news agency, Xinhua also functions as a major publisher, producing content in multiple languages. It plays a crucial role in disseminating information on behalf of the Chinese government and the ruling Chinese Communist Party (CCP). The agency’s headquarters are strategically located near the central government’s offices in Zhongnanhai, Beijing, underscoring its close ties to the country’s leadership.