Abaucin

Abaucin (RS-102895，MLJS-21001) 是一种有窄谱抗生素活性的化合物。Liu G, Catacutan DB, Rathod K. et al. Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii. Nat Chem Biol (2023).   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。 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。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.  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.  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.  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.  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.  

 参见 
 5-(5-硝基-2-噻唑硫基)-1,3,4-噻二唑-2-胺

 参考文献 

Category:抗生素
Category:哌啶类
Category:三氟甲基化合物
Category:螺环化合物
Category:苯乙胺类
Category:Benzoxazines