Discovery of VEGFR2 inhibitors by integrating naïve Bayesian classification, molecular docking and drug screening approaches
De Kang, Xiaocong Pang, Wenwen Lian, Lvjie Xu, Jinhua Wang, Hao Jia, Baoyue Zhang, Ailin Liu, Guanhua Du · RSC Advances · 2018
values ranging from 0.47 to 6.29 μM. Binding mode analysis with CDOCKER revealed the action mechanism of the 3 hit drugs binding to VEGFR2. In summary, we not only proposed an integrated VS pipeline for potential VEGFR2 inhibitors screening, but also identified 3 FDA-approved drugs as novel VEGFR2 inhibitors, which could be used to design and develop new antiangiogenic agents.