Abaucin
外观
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臨床資料 | |
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商品名 | Abaucin |
识别信息 | |
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CAS号 | 300815-41-2 |
PubChem CID | |
化学信息 | |
化学式 | C21H21F3N2O2 |
摩尔质量 | 390.41 g·mol−1 |
3D模型(JSmol) | |
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Abaucin (RS-102895,MLJS-21001) 是一种有窄谱抗生素活性的化合物。[1] 有证据表明它可以有效杀灭鲍曼不动杆菌。鲍曼不动杆菌是由世界卫生组织确认的三种超级细菌之一,对人类可构成“严重威胁”。 非同寻常的是,Abaucin 的研发工作由人工智能辅助完成。[2][3] Abaucin 之所以能够杀灭鲍曼不动杆菌,是因为其抑制了细菌脂蛋白的转运过程。 此前有报道认为,Abaucin 是趋化因子受体 CCR2 的拮抗剂,但是,它的抗生素活性在早期的相关研究中并没有被发现。[4][5][6][7][8]
参见
[编辑]参考文献
[编辑]- ^ Liu G, Catacutan DB, Rathod K. et al. Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii. Nat Chem Biol (2023). doi:10.1038/s41589-023-01349-8
- ^ New superbug-killing antibiotic discovered using AI. May 25, 2023 [2023-05-26]. (原始内容存档于2023-06-08) –通过www.bbc.co.uk.
- ^ Scientists use AI to find promising new antibiotic to fight evasive hospital superbug. [2023-05-26]. (原始内容存档于2023-06-01).
- ^ Clark RD, Caroon JM, Kluge AF, Repke DB, Roszkowski AP, Strosberg AM, Baker S, Bitter SM, Okada MD. Synthesis and antihypertensive activity of 4'-substituted spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-ones. J Med Chem. 1983 May;26(5):657-61. doi:10.1021/jm00359a007 PMID 6842505
- ^ Mirzadegan T, Diehl F, Ebi B, Bhakta S, Polsky I, McCarley D, Mulkins M, Weatherhead GS, Lapierre JM, Dankwardt J, Morgans D Jr, Wilhelm R, Jarnagin K. Identification of the binding site for a novel class of CCR2b chemokine receptor antagonists: binding to a common chemokine receptor motif within the helical bundle. J Biol Chem. 2000 Aug 18;275(33):25562-71. doi:10.1074/jbc.M000692200 PMID 10770925
- ^ Rehni AK, Singh N. Ammonium pyrrolidine dithiocarbamate and RS 102895 attenuate opioid withdrawal in vivo and in vitro. Psychopharmacology (Berl). 2012 Mar;220(2):427-38. doi:10.1007/s00213-011-2489-8 PMID 21931991
- ^ Yuan F, Yosef N, Lakshmana Reddy C, Huang A, Chiang SC, Tithi HR, Ubogu EE. CCR2 gene deletion and pharmacologic blockade ameliorate a severe murine experimental autoimmune neuritis model of Guillain-Barré syndrome. PLoS One. 2014 Mar 14;9(3):e90463. doi:10.1371/journal.pone.0090463 PMID 24632828
- ^ Alsheikh AJ, Dasinger JH, Abais-Battad JM, Fehrenbach DJ, Yang C, Cowley AW Jr, Mattson DL. CCL2 mediates early renal leukocyte infiltration during salt-sensitive hypertension. Am J Physiol Renal Physiol. 2020 Apr 1;318(4):F982-F993. doi:10.1152/ajprenal.00521.2019 PMID 32150444