Author/Authors :
Hussain, Muzammal University of Veterinary and Animal Sciences - Department of Pharmacology Toxicology, Pakistan , Javeed, Aqeel University of Veterinary and Animal Sciences - Department of Pharmacology Toxicology, Pakistan , Ashraf, Muhammad University of Veterinary and Animal Sciences - Department of Pharmacology Toxicology, Pakistan , Siddique, Samerene London Metropolitan University - School of Human Sciences, UK , Riaz, Amjad University of Veterinary and Animal Sciences - Department of Theriogenology, Pakistan , Mukhtar, Muhammad Mahmood University of Veterinary and Animal Sciences - Department of Microbiology, Pakistan
Abstract :
The transcription factor-based therapeutic approaches are the mainstay of current anticancer drug design options to develop highly selective agents with novel modes of action. In this paper, a homology model of DNA-binding domain of transcription factor E2F3 was generated according to X-ray structure of E2F4. As a first step of our proposed project aspired towards exploration of highly selective potential E2F3 ligands, we performed structure-based virtual screening of ZINC 3D chemical database by using Dock Blaster server. Then 31 compounds, selected by filtration step, were docked against the prominent DNA binding site residues of E2F3 model. Two of them have shown a promising interaction with respect to binding poses. The aim is to propose new active ligands against neoplasias characterized by overexpression of E2F3 transcription factor.
Keywords :
E2F3 , Homology modeling , Rational drug design , Virtual screening , transcription factor.
