Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening.

ABSTRACT: Overexpression of Forkhead box protein C2 (FOXC2) has been associated with different types of carcinomas. FOXC2 plays an important role in the initiation and maintenance of the epithelial-mesenchymal transition (EMT) process, which is essential for the development of higher-grade tumors with an enhanced ability for metastasis. Thus, FOXC2 has become a therapeutic target for the development of anticancer drugs. MC-1-F2, the only identified experimental inhibitor of FOXC2, interacts with the full length of FOXC2. However, only the DNA-binding domain (DBD) of FOXC2 has resolved crystal structure. In this work, a three-dimensional (3D) structure of the full-length FOXC2 using homology modeling was developed and used for structure-based drug design (SBDD). The quality of this 3D model of the fu

SUBMITTER: Ibrahim MT 

PROVIDER: S-EPMC9975119 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature