Computer Aided Drug Design and Molecular Modeling Lab, Department of Bioinformatics, Alagappa University, Karaikudi, Tamil Nadu, 630003, India.
Department of Biotechnology, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, 630003, India.
Sci Rep. 2022 Aug 21;12(1):14245. doi: 10.1038/s41598-022-18358-7.
Molecular level understanding on the role of viral infections causing cervical cancer is highly essential for therapeutic development. In these instances, systems pharmacology along with multi omics approach helps in unraveling the multi-targeted mechanisms of novel biologically active compounds to combat cervical cancer. The immuno-transcriptomic dataset of healthy and infected cervical cancer patients was retrieved from the array express. Further, the phytocompounds from medicinal plants were collected from the literature. Network Analyst 3.0 has been used to identify the immune genes around 384 which are differentially expressed and responsible for cervical cancer. Among the 87 compounds reported in plants for treating cervical cancer, only 79 compounds were targeting the identified immune genes of cervical cancer. The significant genes responsible for the domination in cervical cancer are identified in this study. The virogenomic signatures observed from cervical cancer caused by E7 oncoproteins serve as the potential therapeutic targets whereas, the identified compounds can act as anti-HPV drug deliveries. In future, the exploratory rationale of the acquired results will be useful in optimizing small molecules which can be a viable drug candidate.
从分子水平上了解病毒感染导致宫颈癌的作用对于治疗开发至关重要。在这种情况下，系统药理学和多组学方法有助于揭示新型生物活性化合物针对宫颈癌的多靶向机制。从 array express 中检索到健康和感染宫颈癌患者的免疫转录组数据集。此外，从文献中收集了药用植物中的植物化合物。使用 Network Analyst 3.0 来识别 384 个差异表达的免疫基因，这些基因与宫颈癌有关。在报道用于治疗宫颈癌的 87 种植物化合物中，只有 79 种化合物针对已确定的宫颈癌免疫基因。本研究确定了导致宫颈癌的重要基因。由 E7 癌蛋白引起的宫颈癌的病毒基因组特征可作为潜在的治疗靶点，而鉴定出的化合物可作为抗 HPV 药物传递体。将来，获得的结果的探索性原理将有助于优化可作为候选药物的小分子。
