title: Studies for development of novel quinazolinones: new biomarker for EGFR.
abstract: The binding capabilities of a series of novel quinazolinone molecules were established and stated in a comprehensive computational methodology as well as by in vitro analysis. The main focus of this work was to achieve more insight of the interactions with crystal structure of PDB ID: 1M17 and predict their binding mode to EGFR. Three molecules were screened for further examination, which were synthesized and characterized using spectroscopic techniques. The persuasive affinity of these molecules towards EGFR inhibition (IC50 for QT=45nM) was established and validated from specific kinase assay including the cell viability spectrophotometric assay (QT=12nM). Drug likeliness property were also considered by analysing, the ADME of these molecules by using scintigraphic techniques. The result showed antitumour activity of QT (4.17 tumour/muscle at 4h). Further photo physical properties were also analysed to see in vitro HSA binding to QT.
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences, Institute of Nuclear Medicine and Allied Sciences, Brig. S.K. Mazumdar Road, Delhi 110054, India; Department of Chemistry, University of Delhi, Delhi 110007, India.
authors.forename: Swati
authors.initials: S
authors.lastname: Aggarwal
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences, Institute of Nuclear Medicine and Allied Sciences, Brig. S.K. Mazumdar Road, Delhi 110054, India; Department of Applied Sciences, HMRITM (Affiliated to GGSIP University), Delhi 110036, India.
authors.forename: Deepa
authors.initials: D
authors.lastname: Sinha
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences, Institute of Nuclear Medicine and Allied Sciences, Brig. S.K. Mazumdar Road, Delhi 110054, India. Electronic address: anjani7797@rediffmail.com.
authors.forename: Anjani Kumar
authors.initials: AK
authors.lastname: Tiwari
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences, Institute of Nuclear Medicine and Allied Sciences, Brig. S.K. Mazumdar Road, Delhi 110054, India; Department of Chemistry, University of Delhi, Delhi 110007, India.
authors.forename: Pooja
authors.initials: P
authors.lastname: Pooja
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences, Institute of Nuclear Medicine and Allied Sciences, Brig. S.K. Mazumdar Road, Delhi 110054, India.
authors.forename: Ankur
authors.initials: A
authors.lastname: Kaul
authors.affiliation: Department of Chemistry, University of Delhi, Delhi 110007, India.
authors.forename: Gurmeet
authors.initials: G
authors.lastname: Singh
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences, Institute of Nuclear Medicine and Allied Sciences, Brig. S.K. Mazumdar Road, Delhi 110054, India. Electronic address: akmishra63@gmail.com.
authors.forename: Anil Kumar
authors.initials: AK
authors.lastname: Mishra
mesh_terms: D000345:Affinity Labels / Q000737:chemistry* / Q000493:pharmacokinetics / Q000494:pharmacology; D000818:Animals; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000493:pharmacokinetics / Q000494:pharmacology; D002470:Cell Survival / Q000187:drug effects; D066246:ErbB Receptors / Q000037:antagonists & inhibitors* / Q000378:metabolism; D061986:MCF-7 Cells; D008807:Mice, Inbred BALB C; D062105:Molecular Docking Simulation; D052999:Quinazolinones / Q000737:chemistry* / Q000493:pharmacokinetics / Q000494:pharmacology; D011817:Rabbits; D014018:Tissue Distribution
chemical_list: D000345:Affinity Labels; D000970:Antineoplastic Agents; D052999:Quinazolinones; D066246:ErbB Receptors
keywords: CADD; Docking; EGFR; Quinazolinones