Choudhary Saumya, Khan Noor Saba, Saxena Pallavi, Sahu Parameswar, Pradhan Dibyabhaba, Singh Harpreet, Thomas George, Kumar Neeraj
ICMR-National Institute of Pathology, New Delhi, India.
Central Molecular Laboratory, Govind Ballabh Pant Institute of Post Graduate Medical Education and Research, New Delhi, India.
Sci Rep. 2025 Jul 1;15(1):21211. doi: 10.1038/s41598-025-01448-7.
The exact cause of psoriasis is still unclear and there is no treatment available for its permanent reemission. The available biologics for disease treatment, are stated to be associated with a high cost of treatment, a significantly increased risk of serious infections, and have also been reported to show major contradictions in patients with tuberculosis and cardiovascular disorders. Therefore, drug repurposing could be an appealing strategy to find novel treatments for psoriasis, saving time, cost and with viable chance of success. The goal of the present study was to identify the FDA approved drugs which can be proposed as potential anti-psoriasis drugs. The known drug target interactions of 19 autoimmune diseases, 4 cardiovascular risk factors, and each of infectious, lung, and mood disorders were retrieved using various public databases, i.e., DrugBank, PharmGKB, clinicaltrial.gov database, TTD, CTD, and the Unified Medical Language System NDF-RT. The drug target interaction of prioritised drugs, obtained using molecular function GO mappings from the QuickGO database through NBI score was analysed using a molecular docking approach. Further, one-SVM algorithm prediction was done to validate the docking outcome and molecular dynamics simulation of top drug-target molecule was performed to propose potential anti-psoriasis drugs. The study identified Pioglitazone, Trimipramine and Dimetindene as top three contender amongst many other drugs as a new indication against psoriasis.
银屑病的确切病因仍不清楚,目前尚无能够使其永久缓解的治疗方法。现有的用于治疗该疾病的生物制剂据说治疗成本高昂,严重感染风险显著增加,而且据报道在结核病和心血管疾病患者中还存在重大矛盾。因此,药物重新利用可能是一种有吸引力的策略,可为银屑病找到新的治疗方法,节省时间和成本,并具有可行的成功机会。本研究的目的是确定可被提议作为潜在抗银屑病药物的美国食品药品监督管理局(FDA)批准的药物。利用各种公共数据库,即药物银行(DrugBank)、药物基因组学知识库(PharmGKB)、临床试验.gov数据库、治疗靶点数据库(TTD)、比较毒理基因组学数据库(CTD)和统一医学语言系统NDF-RT,检索了19种自身免疫性疾病、4种心血管危险因素以及感染性疾病、肺部疾病和情绪障碍各自已知的药物靶点相互作用。使用分子对接方法分析了通过NBI评分从QuickGO数据库使用分子功能GO映射获得的优先药物的药物靶点相互作用。此外,进行了单支持向量机(one-SVM)算法预测以验证对接结果,并对顶级药物-靶点分子进行了分子动力学模拟,以提出潜在的抗银屑病药物。该研究确定吡格列酮、曲米帕明和二甲茚定是众多其他药物中作为抗银屑病新适应症的三大有力竞争者。