人工智能：新时代化学、药学与医学研究的强大助力——2024年诺贝尔化学奖

doi:10.3969/j.issn.1006-7795.2024.06.026

首都医科大学学报 ›› 2024, Vol. 45 ›› Issue (6): 1131-1137.doi: 10.3969/j.issn.1006-7795.2024.06.026

人工智能：新时代化学、药学与医学研究的强大助力——2024年诺贝尔化学奖

卢玉, 于书帆, 姜秉寅, 王玉记^*

首都医科大学药学院药物化学系/内源式预防药物教育部工程研究中心/多肽及小分子药物北京市重点实验室/北京生物医用材料实验室和天然高分子生物医用材料重点实验室，北京 100069

收稿日期:2024-10-18 出版日期:2024-12-21 发布日期:2024-12-19
通讯作者: 王玉记 E-mail:Wangyuji@ccmu.edu.cn

Artificial intelligence: a powerful enabler for the new era of chemistry, pharmacy and medical research—the 2024 Nobel Prize in Chemistry

Lu Yu, Yu Shufan, Jiang Bingyin, Wang Yuji^*

Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Capital Medical University/Engineering Research Center of Endogenous Prophylactic of Ministry of Education/Beijing Major Laboratory of Peptide and Small Molecular Drugs/Beijing Laboratory of Biomedical Materials and Key Laboratory of Biomedical Materials of Natural Macromolecules, Beijing 100069, China

Received:2024-10-18 Online:2024-12-21 Published:2024-12-19

摘要/Abstract

摘要： 北京时间2024年10月9日，瑞典皇家科学院宣布将2024年诺贝尔化学奖一半授予美国化学家大卫·贝克（David Baker），以表彰其在计算蛋白质设计方面的贡献；另一半则共同授予英国伦敦人工智能公司谷歌DeepMind公司的戴密斯·哈萨比斯（Demis Hassabis）和约翰·M·詹珀（John M. Jumper），以表彰其在蛋白质结构预测方面的贡献。

关键词: 2024年诺贝尔化学奖, 蛋白质结构预测, 计算蛋白质, 人工智能模型

Abstract: On Oct. 9, 2024, the Royal Swedish Academy of Sciences has announced that half of the 2024 Nobel Prize in Chemistry was awarded to American chemist David Baker for his contributions to computational protein design, while the other half was jointly awarded to Demis Hassabis and John M. Jumper of London-based artificial intelligence company Google DeepMind for their contributions to protein structure prediction.

Key words: the 2024 Nobel Prize in Chemistry, protein structure prediction, computational proteins, artificial intelligence modeling

中图分类号:

卢玉, 于书帆, 姜秉寅, 王玉记. 人工智能：新时代化学、药学与医学研究的强大助力——2024年诺贝尔化学奖[J]. 首都医科大学学报, 2024, 45(6): 1131-1137.

Lu Yu, Yu Shufan, Jiang Bingyin, Wang Yuji. Artificial intelligence: a powerful enabler for the new era of chemistry, pharmacy and medical research—the 2024 Nobel Prize in Chemistry[J]. Journal of Capital Medical University, 2024, 45(6): 1131-1137.

参考文献

［1］ Institute for Protein Design. uw［EB/OL］. (2024－10－09)［2024－10－13］. https://www.ipd.uw.edu/2024/10/david-baker-wins-nobel-prize-for-protein-design/.
［2］ Howard Hughes Medical Institute. David baker［EB/OL］. (2024－10－09)［2024－10－13］. https://www.hhmi.org/hhmi-david-baker-wins-2024-nobel-chemistry.
［3］ University of Washington. David Baker［EB/OL］. (2024－10－09)［2024-10-13］.https://www.washington.edu/boundless/biochemist-david-baker-receives-nobel-prize/.
［4］ Google DeepMind. Demis Hassabis［EB/OL］. (2024－10－09)［2024－10－13］. https://deepmind.google/discover/blog/demis-hassabis-john-jumper-awarded-nobel-prize-in-chemistry/.
［5］ The University of Chicago. John Jumper: UChicago Department of Chemistry alum and the 2024 Nobel Prize winner in Chemistry［EB/OL］. (2024－10－9)［2024－10－13］. https://chemistry.uchicago.edu/news/john-jumper-uchicago-department-of-chemistry-alum-and-the-2024-nobel-prize-winner-in-chemistry.
［6］ Dauparas J, Anishchenko I, Bennett N, et al. Robust deep learning based protein sequence design using ProteinMPNN［J］. Science, 2022, 378(6615): 49－56.
［7］ Abramson J, Adler J, Dunger J, et al. Accurate structure prediction of biomolecular interactions with AlphaFold 3［J］. Nature, 2024, 630(8016): 493－500.
［8］ Yang Z Y, Zeng A A, Zhao Y, et al. AlphaFold2 and its applications in the fields of biology and medicine［J］. Signal Transduct Target Ther, 2023, 8(1): 115.
［9］ Sheldon R A, Brady D, Bode M L. The hitchhiker's guide to biocatalysis: recent advances in the use of enzymes in organic synthesis［J］. Chem Sci, 2020, 11(10): 2587－2605.
［10］ Miller D C, Athavale S V, Arnold F H. Combining chemistry and protein engineering for new-to-nature biocatalysis［J］. Nat Synth, 2022, 1(1): 18－23.
［11］ Lovelock S L, Crawshaw R, Basler S, et al. The road to fully programmable protein catalysis［J］. Nature, 2022, 606(7912): 49－58.
［12］ Meyer B, Sawatlon B, Heinen S, et al. Machine learning meets volcano plots: computational discovery of cross-coupling catalysts［J］. Chem Sci, 2018, 9(35): 7069－7077.
［13］ Hook K D, Chambers J T, Hili R. A platform for high-throughput screening of DNA-encoded catalyst libraries in organic solvents［J］.Chem Sci, 2017, 8(10): 7072－7076.
［14］ Durairaj J, Waterhouse A M, Mets T, et al. Uncovering new families and folds in the natural protein universe［J］. Nature, 2023, 622(7983): 646－653.
［15］ Baselious F, Robaa D, Sippl W. Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study［J］. Comput Biol Med, 2023, 167: 107700.
［16］ Watson J L, Juergens D, Bennett N R, et al. De novo design of protein structure and function with RFdiffusion［J］. Nature, 2023, 620(7976): 1089－1100.
［17］ Ren F, Ding X, Zheng M, et al. AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor［J］. Chem Sci, 2023, 14(6): 1443－1452.
［18］ Huang P S, Boyken S E, Baker D. The coming of age of de novo protein design［J］. Nature, 2016, 537(7620): 320－327.
［19］ Bennett N R, Watson J L, Ragotte R J, et al. Atomically accurate de novo design of single-domain antibodies［J］. bioRxiv, 2024: 2024.03.14.585103.
［20］ Lutz I D, Wang S Z, Christoffer N, et al. Top-down design of protein architectures with reinforcement learning［J］. Science, 2023, 380(6642): 266－273.

[1]	邵志敏;张炙萍;赵志炜;庄晓明;姬志娟;张景燕;盛树力;王蓉. APP5肽类似物P165对2型糖尿病大鼠学习记忆的影响[J]. 首都医科大学学报, 2008, 29(2): 162-166.
[2]	王宏娟;赵志炜;姬志娟;盛树力;王蓉. AD7c-NTP与胰岛素受体在小鼠海马CA1区的共存关系[J]. 首都医科大学学报, 2007, 28(3): 324-327.
[3]	欧晓娟;王晓明;贾继东;尤红;马红;王宝恩. 慢性乙型肝炎肝穿病理与血清HBV DNA及肝功能的关系[J]. 首都医科大学学报, 2006, 27(4): 435-437.
[4]	佟丹;陈世璋;孙明学;黄靖香;赵斌. 正常人与慢性牙周炎患者牙槽骨组织培养细胞的生物学特性[J]. 首都医科大学学报, 2006, 27(4): 556-558.
[5]	王玉兰;吴燕川;沙中芬. 幽门螺杆菌临床常用检测方法的比较[J]. 首都医科大学学报, 2006, 27(3): 408-409.
[6]	油红捷;毋晓涛;潘颖;王泽生. 嗜铬颗粒蛋白B-GST融合蛋白表达载体的构建及其在大肠杆菌中的表达[J]. 首都医科大学学报, 2006, 27(2): 206-209.
[7]	油红捷;王泽生. 嗜铬颗粒蛋白B与热休克同源蛋白70相互作用的研究[J]. 首都医科大学学报, 2005, 26(6): 699-702.
[8]	王泽生;杨晓梅;油红捷;杜毅峰;Etienne J. Nouwen. 一种抑制蛋白激酶CK₂活性的新多肽的分离和鉴别[J]. 首都医科大学学报, 2004, 25(4): 450-453.
[9]	黎旭;赵冬;刘静;刘飒;刘军;秦兰萍;吴兆苏. 北京自然人群载脂蛋白E基因多态性频率分布研究[J]. 首都医科大学学报, 2003, 24(3): 268-271.
[10]	王蓉;张景艳;姬志娟;徐艳玲;盛树力. APP17肽对Aβ导致神经元毒性作用的影响[J]. 首都医科大学学报, 2001, 22(3): 202-205.
[11]	黄如彬;潘颖;陈瑞;史小玲;翟志瑞;卫明;张志真. 棕褐沙林蚁的化学成分分析[J]. 首都医科大学学报, 1994, 15(3): 200-203.

人工智能：新时代化学、药学与医学研究的强大助力——2024年诺贝尔化学奖

Artificial intelligence: a powerful enabler for the new era of chemistry, pharmacy and medical research—the 2024 Nobel Prize in Chemistry

PDF

可视化

摘要/Abstract

引用本文

使用本文

参考文献

相关文章 11

编辑推荐

Metrics

本文评价