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作为抗疟疾药物标的Metacaspase (Pf MCA-1):一种in silico方法及其生物验证

Kanchan Yadav¹, Jitendra Kuldeep², H Shabeer Ali³

¹Molecular Microbiology and Immunology Division, CSIR-Central Drug Research Institute, Lucknow 226031, India; Department of Pathology and Immunology, Baylor College of Medicine, 1 Baylor Plaza, Houston, TX 77030, USA.

|November 17, 2023

概括

新的梅桥化合物通过向Plasmodium falciparum metacaspase-1.1,显示出抗疟疾活性. 这些候选药物通过包括增强蛋白酶活性和DNA分裂在内的机制来破坏寄生虫的生长.

科学领域:

疟疾学疟疾学
药物发现药物发现药物发现
蛋白酶抑制剂蛋白酶抑制剂

背景情况:

杆菌中获得的耐药性构成了全球卫生挑战.
菌甲酶-1 (PfMCA-1) 是一种必需的蛋白酶,也是潜在的药物标.

研究的目的:

确定针对PfMCA-1的新型抗疟疾疗法.
研究潜在药物候选物在亡途径上的作用机制.

主要方法:

针对PfMCA-1对55,000种化合物的高吞吐率虚拟查.
在体外抗疟疾查和评价细胞毒性,酶活性,线粒体膜潜力,ROS生成和DNA碎片化.

主要成果:

虚拟查确定了梅布里奇图书馆化合物具有抗等离子体活性.
化合物CD11095,KM06591和RJC0069通过各种机制显示出抗疟疾的有效性.
这些分子通过增强的元酶活性,线粒体脱极化和DNA碎片化诱导了寄生虫的生长停止.

结论:

梅桥分子CD11095,KM06591和RJC0069表现出有希望的抗疟疾活性.
这些已识别的化合物为开发针对关键寄生虫通路的新抗疟疾药物提供了重要的见解.

关键词:

亡和药物发现疟疾:疟疾是一种疾病.梅布里奇图书馆是梅布里奇的图书馆.在Metacaspase中使用.流感病毒 (Plasmodium) 是一种流感病毒.

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Caspases

Caspases

Caspase, a family of cysteine proteases, serve as effectors in apoptosis. The ced3 gene in C.elegans was first identified to be involved in apoptosis. This gene encodes the ced-3 caspase that is similar to the interleukin-1-beta converting enzyme or ICE in mammals. In addition to apoptosis, caspases also function in the inflammatory response. Inflammatory caspases are essential in activating pro-inflammatory cytokines that recruit immune cells and block the replication of pathogens inside...