论文标题

量子网络医学:通过网络科学和量子算法重新思考医学

Quantum network medicine: rethinking medicine with network science and quantum algorithms

论文作者

Maniscalco, Sabrina, Borrelli, Elsi-Mari, Cavalcanti, Daniel, Foti, Caterina, Glos, Adam, Goldsmith, Mark, Knecht, Stefan, Korhonen, Keijo, Malmi, Joonas, Nykänen, Anton, Rossi, Matteo A. C., Saarinen, Harto, Sokolov, Boris, Talarico, N. Walter, Westergren, Jussi, Zimborás, Zoltán, García-Pérez, Guillermo

论文摘要

医学和系统生物学的科学和技术进步明确表明,必须在多个分子和环境因素之间相互作用的背景下观察健康和疾病。了解细胞互连对疾病进展的影响可能导致鉴定新的疾病基因和途径,从而影响精度诊断和治疗学。为了实现这一目标,网络医学的新兴领域采用网络科学方法来研究疾病发病机理,整合来自相关OMICS数据库的信息,包括蛋白质 - 蛋白质相互作用,基于相关,基因调节和贝叶斯网络。但是,这需要分析和计算大量数据。此外,如果我们要有效地寻找新药物和新药组合,那么对计算方法的需求迫切,可以使我们能够访问巨大的化学化合物空间,直到现在为止在很大程度上尚未开发。最后,在显微镜水平上,药物目标化学模拟最终是一个量子问题,因此它需要量子溶液。正如我们将要讨论的那样,量子计算可能是实现网络医学潜力的关键要素。我们建议将网络医学和量子算法结合在一个新的研究领域,即量子网络医学中,以奠定疾病预防和药物设计新时代的基础。

Scientific and technological advances in medicine and systems biology have unequivocally shown that health and disease must be viewed in the context of the interplay among multiple molecular and environmental factors. Understanding the effects of cellular interconnection on disease progression may lead to the identification of novel disease genes and pathways, and hence influence precision diagnostics and therapeutics. To accomplish this goal, the emerging field of network medicine applies network science approaches to investigate disease pathogenesis, integrating information from relevant Omics databases, including protein-protein interaction, correlation-based, gene regulatory, and Bayesian networks. However, this requires analysing and computing large amounts of data. Moreover, if we are to efficiently search for new drugs and new drug combinations, there is a pressing need for computational methods that could allow us to access the immense chemical compound space until now largely unexplored. Finally, at the microscopic level, drug-target chemistry simulation is ultimately a quantum problem, and hence it requires a quantum solution. As we will discuss, quantum computing may be a key ingredient in enabling the full potential of network medicine. We propose to combine network medicine and quantum algorithms in a novel research field, quantum network medicine, to lay the foundations of a new era of disease prevention and drug design.

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