1. Therapeutic effects of ephrin B receptor 2 inhibitors screened by molecular docking on cutaneous squamous cell carcinoma
- Author
-
Xuanfen Zhang and Yan Li
- Subjects
Skin Neoplasms ,Cutaneous squamous cell carcinoma ,Dermatology ,Metastasis ,Flow cytometry ,030207 dermatology & venereal diseases ,03 medical and health sciences ,0302 clinical medicine ,Cell Line, Tumor ,medicine ,Humans ,Ephrin ,Metastatic skin cancer ,Receptor ,Tumor xenograft ,Cell Proliferation ,Receptors, Eph Family ,030203 arthritis & rheumatology ,medicine.diagnostic_test ,business.industry ,Therapeutic effect ,medicine.disease ,Molecular Docking Simulation ,Carcinoma, Squamous Cell ,Cancer research ,business - Abstract
Cutaneous squamous cell carcinoma (CSCC) is the most known form type of metastatic skin cancer. Activation of ephrin B receptor 2 (EphB2) signaling can promote the metastasis, invasion, and angiogenesis of CSCC cells. Therefore, EphB2 may act as a therapeutic target for CSCC. Here, we screened the inhibitors for EphB2 using molecular docking and then evaluated the effects of the identified inhibitors on cancer-related features of CSCC cells.The Schrodinger docking tool was used to predict the three-dimensional structure of EphB2 protein and its ligand binding sites, and EphB2 inhibitors were screened by high-throughput virtual screening combined with molecular docking. The effects of EphB2 inhibitors were analyzed for cell viability, proliferation, apoptosis, migration, invasion, and xenograft tumor growth.EphB2 small-molecule inhibitors had anti-CSCC effects, establishing a solid theoretical basis for clinical research.
- Published
- 2020