title: Exploration of potential ligands against cancer-causing transcription factor E2F3.
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.
authors.affiliation: Department of Pharmacology & Toxicology, University of Veterinary and Animal Sciences, Lahore, Pakistan.
authors.forename: Muzammal
authors.initials: M
authors.lastname: Hussain
authors.forename: Aqeel
authors.initials: A
authors.lastname: Javeed
authors.forename: Muhammad
authors.initials: M
authors.lastname: Ashraf
authors.forename: Samerene
authors.initials: S
authors.lastname: Siddique
authors.forename: Amjad
authors.initials: A
authors.lastname: Riaz
authors.forename: Muhammad Mahmood
authors.initials: MM
authors.lastname: Mukhtar
mesh_terms: D000595:Amino Acid Sequence; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D001665:Binding Sites; D017076:Computer-Aided Design; D018360:Crystallography, X-Ray; D004247:DNA / Q000737:chemistry; D062126:Databases, Chemical; D015195:Drug Design; D050699:E2F3 Transcription Factor / Q000037:antagonists & inhibitors / Q000737:chemistry*; D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D011487:Protein Conformation; D013329:Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D050699:E2F3 Transcription Factor; C098319:E2F3 protein, human; D008024:Ligands; D004247:DNA