新型抗生素分子(NG1和DN1)

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Cell重磅:AI破局抗生素耐药危机,从头设计全新抗生素,精准杀灭耐药菌
生物世界· 2025-08-15 04:21
Core Viewpoint - The article discusses the urgent need for novel antibiotics to combat antibiotic resistance, highlighting the potential of generative artificial intelligence (AI) in designing new antibiotic compounds [2][5][11]. Group 1: Antibiotic Resistance Crisis - Antibiotic resistance (AMR) has led to 4.71 million deaths globally in 2021, with 1.14 million directly attributable to AMR [2]. - The CDC has classified Neisseria gonorrhoeae and Staphylococcus aureus as "urgent" and "serious" threats due to their widespread resistance to existing antibiotics [5]. - Between 1980 and 2003, only five new antibacterial drugs were developed by the top 15 pharmaceutical companies, indicating a critical need for innovative compounds [5]. Group 2: Generative AI in Antibiotic Development - Generative AI can design antibiotic molecules from scratch, allowing for the exploration of vast chemical spaces beyond existing compound libraries [7][11]. - The research team developed a generative AI platform that successfully designed two novel antibiotic molecules targeting resistant bacteria, demonstrating safety in human cells and efficacy in reducing bacterial load in mouse models [3][10]. Group 3: Research Methodology - The study utilized two methods for antibiotic design: a fragment-based approach (CReM) and an unconstrained de novo generation method (VAE), resulting in over 36 million novel compounds with predicted antibacterial activity [8][10]. - Out of 24 synthesized compounds, seven exhibited selective antibacterial activity, with two lead compounds (NG1 and DN1) showing significant efficacy against multi-drug resistant strains [10][11]. Group 4: Implications and Future Directions - The generative AI framework developed in this research provides a platform for exploring unknown chemical spaces, potentially leading to the discovery of new antibiotics [11].