女性癌症,其中包括乳腺癌和妇科癌症,对妇女来说是一个巨大的全球健康负担。尽管在发掘这些癌症的关键病理特征方面取得了进展,在发现潜在的治疗策略方面仍然存在挑战。与从头药物发现和临床复杂性(如耐药性和转移的发展)相关的经济负担进一步加剧了这一点。药物再利用,一种创新的方法,利用现有的FDA批准的药物用于新的适应症,提出了加快治疗发展的有希望的途径。计算技术,包括药物-目标-疾病关系的虚拟筛查和分析,能够识别潜在的候选药物。不同数据类型的集成,例如组学和临床信息,提高药物再利用策略的精确性和有效性。实验方法,包括高通量筛选试验,在体外,和体内模型,补充计算方法,促进再利用药物的验证。这篇综述强调了基于差异基因表达分析的各种目标挖掘策略,加权基因共表达,蛋白质-蛋白质相互作用网络,和宿主-病原体相互作用,在其他人中。为了挖掘候选药物,利用来自DrugBank等数据库的信息的技术性,STITCH,LINCS,和ChEMBL,其中有讨论。进一步的模拟验证技术,包括分子对接,药效团建模,分子动力学模拟,并对ADMET分析进行了阐述。总的来说,这篇综述深入探讨了个别案例研究的探索,为不断发展的药物再利用领域提供了广泛的视角,强调用于对抗女性癌症的多方面方法和方法。
Female cancers, which include breast and gynaecological cancers, represent a significant global health burden for women. Despite advancements in research pertinent to unearthing crucial pathological characteristics of these cancers, challenges persist in discovering potential therapeutic strategies. This is further exacerbated by economic burdens associated with de novo drug discovery and clinical intricacies such as development of drug resistance and metastasis. Drug repurposing, an innovative approach leveraging existing FDA-approved drugs for new indications, presents a promising avenue to expedite therapeutic development. Computational techniques, including virtual screening and analysis of drug-target-disease relationships, enable the identification of potential candidate drugs. Integration of diverse data types, such as
omics and clinical information, enhances the precision and efficacy of drug repurposing strategies. Experimental approaches, including high-throughput screening assays, in vitro, and in vivo models, complement computational methods, facilitating the validation of repurposed drugs. This review highlights various target mining strategies based on analysis of differential gene expression, weighted gene co-expression, protein-protein interaction network, and host-pathogen interaction, among others. To unearth drug candidates, the technicalities of leveraging information from databases such as DrugBank, STITCH, LINCS, and ChEMBL, among others are discussed. Further in silico validation techniques encompassing molecular docking, pharmacophore modelling, molecular dynamic simulations, and ADMET analysis are elaborated. Overall, this review delves into the exploration of individual case studies to offer a wide perspective of the ever-evolving field of drug repurposing, emphasizing the multifaceted approaches and methodologies employed for the same to confront female cancers.