Zhang Jie, Liu Hongchuan, Zhu Kongkai, Gong Shouzhe, Dramsi Shaynoor, Wang Ya-Ting, Li Jiafei, Chen Feifei, Zhang Ruihan, Zhou Lu, Lan Lefu, Jiang Hualiang, Schneewind Olaf, Luo Cheng, Yang Cai-Guang
Department of Molecular Pharmacology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China;
State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China;
Proc Natl Acad Sci U S A. 2014 Sep 16;111(37):13517-22. doi: 10.1073/pnas.1408601111. Epub 2014 Sep 2.
Methicillin-resistant Staphylococcus aureus (MRSA) is the most frequent cause of hospital-acquired infection, which manifests as surgical site infections, bacteremia, and sepsis. Due to drug-resistance, prophylaxis of MRSA infection with antibiotics frequently fails or incites nosocomial diseases such as Clostridium difficile infection. Sortase A is a transpeptidase that anchors surface proteins in the envelope of S. aureus, and sortase mutants are unable to cause bacteremia or sepsis in mice. Here we used virtual screening and optimization of inhibitor structure to identify 3-(4-pyridinyl)-6-(2-sodiumsulfonatephenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole and related compounds, which block sortase activity in vitro and in vivo. Sortase inhibitors do not affect in vitro staphylococcal growth yet protect mice against lethal S. aureus bacteremia. Thus, sortase inhibitors may be useful as antiinfective therapy to prevent hospital-acquired S. aureus infection in high-risk patients without the side effects of antibiotics.
耐甲氧西林金黄色葡萄球菌(MRSA)是医院获得性感染最常见的病因,表现为手术部位感染、菌血症和脓毒症。由于耐药性,使用抗生素预防MRSA感染常常失败或引发医院内疾病,如艰难梭菌感染。分选酶A是一种转肽酶,可将表面蛋白锚定在金黄色葡萄球菌的包膜中,分选酶突变体在小鼠中无法引起菌血症或脓毒症。在此,我们通过虚拟筛选和抑制剂结构优化,鉴定出3-(4-吡啶基)-6-(2-磺酸钠苯基)[1,2,4]三唑并[3,4-b][1,3,4]噻二唑及相关化合物,它们在体外和体内均能阻断分选酶活性。分选酶抑制剂不影响体外葡萄球菌生长,但可保护小鼠免受致死性金黄色葡萄球菌菌血症的侵害。因此,分选酶抑制剂可能作为抗感染疗法,用于预防高危患者医院获得性金黄色葡萄球菌感染,且无抗生素的副作用。