猴痘（Monkeypox）是非洲地区的地方性疾病，在最近几年由于在非地方性国家的爆发而成为全球关注的焦点。尽管该疾病最早于1970年被记录，但目前尚无猴痘特定的药物或疫苗。我们采用药物重定位方法，测试目前已批准使用的药物对新发疾病的有效性，作为一种最经济实惠的发现新型治疗措施的途径之一。我们应用了基于虚拟配体和基于结构的筛选技术，以鉴定潜在的用于治疗猴痘的药物候选物。我们将结果缩小到6种抗病毒药物和20种抗肿瘤药物，这些药物在理论上比目前批准用于治疗猴痘疾病的特科维拉麦具有更高的效力。我们的结果表明，选定的药物化合物对猴痘病毒的p37受体具有较强的结合亲和力，因此在未来的研究中可以潜在地用于证实其对该疾病的有效性。© 2023。作者（们）。

Monkeypox is endemic to African region and has become of Global concern recently due to its outbreaks in non-endemic countries. Although, the disease was first recorded in 1970, no monkeypox specific drug or vaccine exists as of now.We applied drug repositioning method, testing effectiveness of currently approved drugs against emerging disease, as one of the most affordable approaches for discovering novel treatment measures. Techniques such as virtual ligand-based and structure-based screening were applied to identify potential drug candidates against monkeypox.We narrowed down our results to 6 antiviral and 20 anti-tumor drugs that exhibit theoretically higher potency than tecovirimat, the currently approved drug for monkeypox disease.Our results indicated that selected drug compounds displayed strong binding affinity for p37 receptor of monkeypox virus and therefore can potentially be used in future studies to confirm their effectiveness against the disease.© 2023. The Author(s).