Stelitano Giovanni, Bettoni Christian, Mori Matteo, Cocorullo Mario, Tresoldi Andrea, Meneghetti Fiorella, Villa Stefania, Chiarelli Laurent R
Department of Biology and Biotechnology "Lazzaro Spallanzani", University of Pavia, Pavia, Italy.
Department of Pharmaceutical Sciences, University of Milan, Milano, Italy.
Chem Biol Drug Des. 2025 Aug;106(2):e70162. doi: 10.1111/cbdd.70162.
Non-tuberculous mycobacteria (NTM) are opportunistic pathogens that lead to severe, persistent infections, particularly in immunocompromised or vulnerable individuals. Infection rates are rising worldwide, highlighting NTM as an increasing threat to public health. There are currently no specific drugs, and the recommended regimens are usually ineffective. This scenario underlines the urgent need to develop new strategies to effectively combat these infections in a more innovative way. However, the development of new drugs can be a lengthy process, often taking more than a decade to identify even a single active compound. Among the new strategies that can expedite this process is the repurposing of approved drugs. In this work, we applied this approach to identify compounds inhibiting iron uptake in Mycobacterium abscessus (Mab). Specifically, we studied the targeting of salicylate synthase, an enzyme that plays a crucial role in the biosynthesis of mycobacterial siderophores necessary for iron acquisition. Performing an in silico virtual screening of three databases against the crystal structure of salicylate synthase, we identified 11 potential ligands. Then, in vitro assays on the recombinant enzyme highlighted three competitive inhibitors, namely fostamatinib, esomeprazole, and hydroxystilbamidine. These results confirm the potential of the repurposing approach and pave the way for further experimental validation and optimization of these inhibitors as promising compounds against NTM infections.
非结核分枝杆菌(NTM)是机会致病菌,可导致严重的持续性感染,尤其是在免疫功能低下或易感染个体中。全球感染率正在上升,凸显了NTM对公共卫生的威胁日益增加。目前尚无特效药物,推荐的治疗方案通常无效。这种情况突显了迫切需要以更具创新性的方式制定新策略来有效对抗这些感染。然而,新药研发可能是一个漫长的过程,通常需要十多年才能确定一种活性化合物。加快这一过程的新策略之一是重新利用已批准的药物。在这项工作中,我们应用这种方法来鉴定抑制脓肿分枝杆菌(Mab)铁摄取的化合物。具体而言,我们研究了水杨酸合酶的靶向作用,该酶在铁获取所需的分枝杆菌铁载体生物合成中起关键作用。针对水杨酸合酶的晶体结构对三个数据库进行计算机虚拟筛选,我们鉴定出11种潜在配体。然后,对重组酶进行的体外试验突出了三种竞争性抑制剂,即福斯替尼、埃索美拉唑和羟基二脒苯乙烯。这些结果证实了重新利用方法的潜力,并为进一步实验验证和优化这些抑制剂作为抗NTM感染的有前景化合物铺平了道路。