Pub Date : 2025-01-22DOI: 10.1038/s41587-024-02526-3
Mohammad Ghazi Vakili, Christoph Gorgulla, Jamie Snider, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Daniil Polykovsky, Krishna M. Padmanabha Das, Huel Cox III, Anna Lyakisheva, Ardalan Hosseini Mansob, Zhong Yao, Lela Bitar, Danielle Tahoulas, Dora Čerina, Eugene Radchenko, Xiao Ding, Jinxin Liu, Fanye Meng, Feng Ren, Yudong Cao, Igor Stagljar, Alán Aspuru-Guzik, Alex Zhavoronkov
We introduce a quantum–classical generative model for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. We apply the method to design, select and synthesize 15 proposed molecules that could notably engage with KRAS for cancer therapy, with two holding promise for future development as inhibitors. This work showcases the potential of quantum computing to generate experimentally validated hits that compare favorably against classical models.
{"title":"Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors","authors":"Mohammad Ghazi Vakili, Christoph Gorgulla, Jamie Snider, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Daniil Polykovsky, Krishna M. Padmanabha Das, Huel Cox III, Anna Lyakisheva, Ardalan Hosseini Mansob, Zhong Yao, Lela Bitar, Danielle Tahoulas, Dora Čerina, Eugene Radchenko, Xiao Ding, Jinxin Liu, Fanye Meng, Feng Ren, Yudong Cao, Igor Stagljar, Alán Aspuru-Guzik, Alex Zhavoronkov","doi":"10.1038/s41587-024-02526-3","DOIUrl":"https://doi.org/10.1038/s41587-024-02526-3","url":null,"abstract":"<p>We introduce a quantum–classical generative model for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. We apply the method to design, select and synthesize 15 proposed molecules that could notably engage with KRAS for cancer therapy, with two holding promise for future development as inhibitors. This work showcases the potential of quantum computing to generate experimentally validated hits that compare favorably against classical models.</p>","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"137 1","pages":""},"PeriodicalIF":46.9,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-22DOI: 10.1038/s41587-024-02534-3
Sebastian Lobentanzer, Shaohong Feng, Noah Bruderer, Andreas Maier, The BioChatter Consortium, Cankun Wang, Jan Baumbach, Jorge Abreu-Vicente, Nils Krehl, Qin Ma, Thomas Lemberger, Julio Saez-Rodriguez
{"title":"A platform for the biomedical application of large language models","authors":"Sebastian Lobentanzer, Shaohong Feng, Noah Bruderer, Andreas Maier, The BioChatter Consortium, Cankun Wang, Jan Baumbach, Jorge Abreu-Vicente, Nils Krehl, Qin Ma, Thomas Lemberger, Julio Saez-Rodriguez","doi":"10.1038/s41587-024-02534-3","DOIUrl":"10.1038/s41587-024-02534-3","url":null,"abstract":"","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"43 2","pages":"166-169"},"PeriodicalIF":33.1,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41587-024-02534-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142992595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-20DOI: 10.1038/s41587-025-02555-6
Melanie Senior
After two volatile years, FDA approvals in 2024 settled closer to their 10-year average. Will nominated commissioner Marty Makary shake things up, or maintain a steady ship?
{"title":"Fresh from the biotech pipeline: FDA approvals settle in 2024, but what next?","authors":"Melanie Senior","doi":"10.1038/s41587-025-02555-6","DOIUrl":"10.1038/s41587-025-02555-6","url":null,"abstract":"After two volatile years, FDA approvals in 2024 settled closer to their 10-year average. Will nominated commissioner Marty Makary shake things up, or maintain a steady ship?","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"43 2","pages":"159-165"},"PeriodicalIF":33.1,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41587-025-02555-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142990988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-17DOI: 10.1038/s41587-024-02527-2
Recent moves of note in and around the biotech and pharma industries.
生物技术和制药行业的最新动向。
{"title":"People","authors":"","doi":"10.1038/s41587-024-02527-2","DOIUrl":"10.1038/s41587-024-02527-2","url":null,"abstract":"Recent moves of note in and around the biotech and pharma industries.","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"43 1","pages":"148-148"},"PeriodicalIF":33.1,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142989161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-17DOI: 10.1038/s41587-024-02522-7
Michael Francisco
A biophysicist interested in understanding the molecular principles of membrane protein folding and applying them to protein design discusses her nonlinear academic path and the potential societal impact of her research.
{"title":"Five questions with Anastassia Vorobieva","authors":"Michael Francisco","doi":"10.1038/s41587-024-02522-7","DOIUrl":"10.1038/s41587-024-02522-7","url":null,"abstract":"A biophysicist interested in understanding the molecular principles of membrane protein folding and applying them to protein design discusses her nonlinear academic path and the potential societal impact of her research.","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"43 1","pages":"147-147"},"PeriodicalIF":33.1,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41587-024-02522-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142989163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-17DOI: 10.1038/s41587-024-02538-z
{"title":"Biotech news from around the world","authors":"","doi":"10.1038/s41587-024-02538-z","DOIUrl":"10.1038/s41587-024-02538-z","url":null,"abstract":"","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"43 1","pages":"10-10"},"PeriodicalIF":33.1,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142989339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-17DOI: 10.1038/s41587-024-02537-0
Iris Marchal
{"title":"An organoid model with all three pancreatic lineages resembles fetal pancreas","authors":"Iris Marchal","doi":"10.1038/s41587-024-02537-0","DOIUrl":"10.1038/s41587-024-02537-0","url":null,"abstract":"","PeriodicalId":19084,"journal":{"name":"Nature biotechnology","volume":"43 1","pages":"30-30"},"PeriodicalIF":33.1,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142989341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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