Kingella negevensis belongs to the Neisseriaceae family. It is implied that it has significant virulence potential due to RTX toxin production, which can cause hemolysis. It usually colonizes the orophayrynx of pediatric population, along with Kingella kingae but has also been isolated from vagina. Todate no report on its drug targets is present, therefore putative therapeutic targets were identified from its genomic sequence data. Traditional Chinese (n > 36,000) and Indian medicinal compounds (n > 2000) were then screened against its pyridoxine 5'-phosphate synthase, a vital therapeutic target. Prioritized TCM compounds included ZINC02525131, ZINC33833737 and ZINC85486932, and Cadiyenol, 9,11,13-Octadecatrienoic acid and 6-Gingerol from Indian medicinal library. Molecular dynamics simulation of top compounds revealed ZINC02525131 as having best stability for 100 ns, compared to Cadiyenol. ADMET profiling was then done, along with physiologically based pharmacokinetic simulation of these compounds in a population of 200 individuals, for 12 h to see fate of the ingested compound. Additionally, the impact of these compounds in a population with cirrhosis and renal impairment was also simulated. We imply in light of all the studied parameters of safety and bioavailability, etc., that 6-Gingerol from Zingiber officinalis rhizome must be proceeded further for in vitro and in vivo testing for inhibition of K. negevensis.

Kingella negevensis属于奈瑟菌科。这意味着由于 RTX 毒素的产生，它具有显着的毒力潜力，可导致溶血。它通常与Kingella kingae一起寄生在儿科人群的口咽部，但也从阴道中分离出来。迄今为止，尚无关于其药物靶点的报告，因此从其基因组序列数据中确定了假定的治疗靶点。然后针对其重要的治疗靶点吡哆醇 5'-磷酸合酶筛选了传统中药 ( n > 36,000) 和印度药用化合物 ( n > 2000)。优先中药化合物包括来自印度药库的ZINC02525131、ZINC33833737和ZINC85486932，以及Cadiyenol、9,11,13-十八碳三烯酸和6-姜酚。顶级化合物的分子动力学模拟显示，与 Cadiyenol 相比，ZINC02525131 在 100 ns 内具有最佳稳定性。然后进行 ADMET 分析，并对 200 名个体中的这些化合物进行 12 小时的基于生理学的药代动力学模拟，以观察摄入的化合物的命运。此外，还模拟了这些化合物对肝硬化和肾功能不全人群的影响。我们认为，根据所有研究的安全性和生物利用度等参数，来自姜根茎的 6-姜酚必须进一步进行体外和体内测试，以抑制K. negevensis。