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

doi:10.3969/j.issn.1006-7795.2024.06.026

Abstract

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

CLC Number:

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.

0
/ / Recommend

Add to citation manager EndNote|Reference Manager|ProCite|BibTeX|RefWorks

URL: https://journal03.magtech.org.cn/Jweb_sdykdxxb/EN/10.3969/j.issn.1006-7795.2024.06.026

https://journal03.magtech.org.cn/Jweb_sdykdxxb/EN/Y2024/V45/I6/1131

References

［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]	Shao Zhimin;Zhang Zhiping;Zhao Zhiwei;Zhuang Xiaoming;Ji Zhijuan;Zhang Jingyan;Sheng Shuli;Wang Rong. Effect of Analog of APP 5-mer Peptide P165 on Learning and Memory Abilities in Rats with Type 2 Diabetes Mellitus [J]. Journal of Capital Medical University, 2008, 29(2): 162-166.
[2]	Wang Hongjuan;Zhao Zhiwei;Ji Zhijuan;Sheng Shuli;Wang Rong. Coexistence of AD7c-NTP and Insulin Receptor in CA1 Zone of Hippocampus in Mouse [J]. Journal of Capital Medical University, 2007, 28(3): 324-327.
[3]	Ou Xiaojuan;Wang Xiaoming;Jia Jidong;You Hong;Ma Hong;Wang Baoen. Evaluation of Correlation Between Hepatic Pathohistology of Biopsies and Liver Function or Serum HBV DNA in Patients with Chronic Hepatitis B [J]. Journal of Capital Medical University, 2006, 27(4): 435-437.
[4]	Tong Dan;Chen Shizhang;Sun Mingxue;Huang Jingxiang;Zhao Bin. Biological Characteristics of Cell Lines Derived Form Human Dental Alveolus [J]. Journal of Capital Medical University, 2006, 27(4): 556-558.
[5]	Wang Yulan;Wu Yanchuan;Sha Zhongfen. Comparison of Commonly Used Clinical Methods for the Detection of H. pylori [J]. Journal of Capital Medical University, 2006, 27(3): 408-409.
[6]	You Hongjie;Wu Xiaotao;Pan Ying;Wang Zesheng. Recombination and Expression of Chromogranin B Fusion Protein in E. Coli [J]. Journal of Capital Medical University, 2006, 27(2): 206-209.
[7]	You Hongjie;Wang Zesheng. Study of the Interaction between Chromogranin B and Heat Shock Cognate Protein70 [J]. Journal of Capital Medical University, 2005, 26(6): 699-702.
[8]	Wang Zesheng;Yang Xiaomei;You Hongjie;Du Yifeng;Etienne J. Nouwen. Isolation and Identification of a New Peptide that Inhibits Protein Kinase CK₂ [J]. Journal of Capital Medical University, 2004, 25(4): 450-453.
[9]	Li Xu;Zhao Dong;Liu Jing;Liu Sa;Liu Jun;Qin Lanping;Wu Zhaosu. Frequency Distribution of Apolipoprotein E Gene Polymorphism in Beijing Natural Population [J]. Journal of Capital Medical University, 2003, 24(3): 268-271.
[10]	Wang Rong;Zhang Jingyan;Ji Zhijuan;Xu Yanling;Sheng Shuli . The Effect of APP17-mer Peptide on the Neurotoxicity of Aβ [J]. Journal of Capital Medical University, 2001, 22(3): 202-205.
[11]	Huang Rubin;Pan Ying;Chen Rui;Shi Xiaoling;Zhai Zhirui;Wei Ming;Zhang Zhizheng. An Analysis of the Chemical Composition of Emerv, Formlcusiua [J]. Journal of Capital Medical University, 1994, 15(3): 200-203.