title: In vitro and in silico studies of the interaction of three tetrazoloquinazoline derivatives with DNA and BSA and their cytotoxicity activities against MCF-7, HT-29 and DPSC cell lines.
abstract: In this study, the interaction of three [1,2,3,4]tetrazolo[5,1-b]-quinazolin-8-one derivatives with salmon sperm DNA and BSA was investigated experimentally and theoretically. Fluorescence and absorption spectroscopy techniques were applied to determine the probable interaction mechanism and correlated binding constants and thermodynamic parameters. It was found that the compounds intercalate into the DNA duplex via minor groove in a moderately strong fashion with the binding constants of 104M-1. The values of binding constant for the interaction with BSA at different temperatures were also calculated to be in the range of 1.06×103-3.54×108M-1indicating the relatively high propensity of the compounds to BSA. In vitro cytotoxicity studies on the effect of the compounds on MCF-7 and HT-29 cancerous cell lines as well as DPSC normal cell line were performed using MTT assay. It was observed that the compounds exhibited selective inhibitory effect against cancer cell growth. Moreover, each of the title compounds was separately docked to DNA and BSA using Autodock Vina as a molecular docking program. The obtained theoretical results were in good agreement with those obtained from Experimental studies.
authors.affiliation: Molecular Medicine Research Center, Rafsanjan University of Medical Sciences, Rafsanjan, Iran. Electronic address: m.mohamadi794@gmail.com.
authors.forename: Maryam
authors.initials: M
authors.lastname: Mohamadi
authors.affiliation: Department of New Materials, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced Technology, Kerman, Iran.
authors.forename: Asadollah
authors.initials: A
authors.lastname: Hassankhani
authors.affiliation: Department of Chemistry, Faculty of Science, Shahid Bahonar University of Kerman, Kerman, Iran.
authors.forename: S Yousef
authors.initials: SY
authors.lastname: Ebrahimipour
authors.affiliation: Department of Biotechnology, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced Technology, Kerman, Iran.
authors.forename: Masoud
authors.initials: M
authors.lastname: Torkzadeh-Mahani
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D004247:DNA / Q000737:chemistry; D004354:Drug Screening Assays, Antitumor; D019073:HT29 Cells; D006801:Humans; D006860:Hydrogen Bonding; D020128:Inhibitory Concentration 50; D007364:Intercalating Agents / Q000737:chemistry* / Q000494:pharmacology; D061986:MCF-7 Cells; D062105:Molecular Docking Simulation; D011485:Protein Binding; D011799:Quinazolines / Q000737:chemistry* / Q000494:pharmacology; D012710:Serum Albumin, Bovine / Q000737:chemistry; D013777:Tetrazoles / Q000737:chemistry* / Q000494:pharmacology; D013816:Thermodynamics
chemical_list: D000970:Antineoplastic Agents; D007364:Intercalating Agents; D011799:Quinazolines; D013777:Tetrazoles; D012710:Serum Albumin, Bovine; D004247:DNA
keywords: BSA and DNA interaction; MTT assays; Molecular docking; Spectroscopic techniques; [1,2,3,4]tetrazolo[5,1-b]-quinazolin-8-one derivatives