Here, we have evaluated the inhibitory effects of Medicines for Malaria Venture (MMV) Malaria Box compounds that exhibited potent in vitro anti-bovine Babesia efficacy against the growth of B. microti in mice and conducted follow-up investigations of the structural similarity between the identified potent MMV compounds and the commonly used antibabesial drugs was performed using atom Pair fingerprints (APfp). Screening the Malaria Box against the in vivo growth of the B. microti parasite helped with the discovery of new, effective anti-bovine Babesia drugs, including MMV667488, MMV007285, and MMV019881. Of note, MMV019881 exhibited the highest anti-B. microti efficacy in vivo among the screened MMV compounds. The APfp results revealed that the maximum structural similarity (MSS) was observed between MMV007285, diminazene aceturate, and imidocarb dipropionate (ID). In the same way, clofazimine (CF) and MMV667488 showed the MSS with either each other based on the analysis. The distance matrix and molecular weight correlation findings highlight the possible potential antibabesial efficacy of MMV667488, ID, and CF when administrated as a combination therapy. In conclusion, in the current study new potent antibabesial drug, MMV019881 was identified. CF and MMV667488 showed the MSS with either each other based on the hierarchical clustering analysis (HCA) and such relation is confirmed by the distance matrix and molecular weight correlation findings. Such combination therapy might have a potential as a novel regime for treating animal or human babesiosis.

在这里，我们评估了疟疾药物 (MMV) 疟疾盒化合物的抑制作用，这些化合物在小鼠体内表现出有效的体外抗牛巴贝虫功效，对B. microti的生长进行了后续研究，并对两者之间的结构相似性进行了后续研究。使用原子对指纹（APfp）鉴定了有效的MMV化合物和常用的抗巴贝斯药物。针对B. microti寄生虫的体内生长筛选疟疾盒有助于发现新的、有效的抗牛巴贝虫药物，包括 MMV667488、MMV007285 和 MMV019881。值得注意的是，MMV019881 表现出最高的抗B. microti体内功效在筛选的 MMV 化合物中。APfp 结果显示，在 MMV007285、醋酸二亚胺和二丙酸咪唑威 (ID) 之间观察到最大结构相似性 (MSS)。同样，根据分析，氯法齐明（CF）和MMV667488显示出彼此的MSS。距离矩阵和分子量相关性研究结果突出了 MMV667488、ID 和 CF 在作为联合疗法给药时可能具有的潜在抗巴贝斯虫功效。总之，在目前的研究中发现了新的强效抗巴贝斯药物，MMV019881。CF 和 MMV667488 基于层次聚类分析 (HCA) 显示了彼此的 MSS，并且这种关系由距离矩阵和分子量相关性结果证实。