title: Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities.
abstract: Two new mononuclear water soluble copper(II) complexes, [Cu{(5-pyrazinyl)tetrazolate}2(1,10-phenanthroline)] 1 and [Cu{(5-pyrazinyl)tetrazolate}(1,10-phenanthroline)2](NO3)0.5(N3)0.5 2, have been synthesized using the metal mediated [2 + 3] cycloaddition reaction between copper bound azide and pyrazinecarbonitrile. The interactions of these copper tetrazolate complexes 1 and 2 with biomolecules like DNA and bovine serum albumin (BSA) are studied and the catecholase like catalytic activity of compound 2 is also explored. Structural determination reveals that both compounds 1 and 2 are octahedral in nature. Screening tests were conducted to quantify the binding ability of complexes (1 and 2) towards DNA and it was revealed that complex 2 has a stronger affinity to bind to CT-DNA. DFT studies indicated that a lower HOMO-LUMO energy gap between the DNA fragment and metal complexes might be the reason for this type of stronger interaction. DNA cleavage activity was explored by gel-electrophoresis and moderate to strong DNA cleavage properties were observed in the presence and absence of co-reagents. Inhibition of cleavage in the presence of sodium azide indicates the propagation of the activity through the production of singlet molecular oxygen. Furthermore enzyme kinetic studies reflect that complex 2 is also effective in mimicking catecholase like activities. An ESI-MS spectral study indicates the probable involvement of dimeric species [(phen)2Cu-(OH)2-Cu(phen)2](2+) in the catalytic cycle.
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Manideepa
authors.initials: M
authors.lastname: Saha
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Mriganka
authors.initials: M
authors.lastname: Das
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Rajendar
authors.initials: R
authors.lastname: Nasani
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Indrani
authors.initials: I
authors.lastname: Choudhuri
authors.affiliation: University of North Texas at Dallas, Life and Health Sciences Department, 7400 University Hills Blvd, 300 Founder's Hall, Dallas, TX 75241, USA. myousuf@untdallas.edu.
authors.forename: Muhammed
authors.initials: M
authors.lastname: Yousufuddin
authors.affiliation: Department of Applied Chemistry, Indian School of Mines, Dhanbad, 826004, Jharkhand, India. hpnayek@yahoo.com.
authors.forename: Hari Pada
authors.initials: HP
authors.lastname: Nayek
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Mobin M
authors.initials: MM
authors.lastname: Shaikh
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Biswarup
authors.initials: B
authors.lastname: Pathak
authors.affiliation: Department of Chemistry, School of Basic Sciences, Indian Institute of Technology Indore, IET-DAVV Campus, Khandwa Road, Indore 452017, India. suman@iiti.ac.in.
authors.forename: Suman
authors.initials: S
authors.lastname: Mukhopadhyay
mesh_terms: D000818:Animals; D002384:Catalysis; D004156:Catechol Oxidase / Q000737:chemistry* / Q000494:pharmacology; D002417:Cattle; D056831:Coordination Complexes / Q000737:chemistry* / Q000494:pharmacology; D003300:Copper / Q000737:chemistry* / Q000494:pharmacology; D018360:Crystallography, X-Ray; D004247:DNA / Q000737:chemistry; D053837:DNA Cleavage / Q000187:drug effects*; D007700:Kinetics; D008958:Models, Molecular; D010084:Oxidation-Reduction; D010618:Phenanthrolines / Q000737:chemistry / Q000494:pharmacology; D012710:Serum Albumin, Bovine / Q000737:chemistry; D012995:Solubility; D013777:Tetrazoles / Q000737:chemistry* / Q000494:pharmacology; D014867:Water / Q000737:chemistry
chemical_list: D056831:Coordination Complexes; D010618:Phenanthrolines; D013777:Tetrazoles; D014867:Water; D012710:Serum Albumin, Bovine; D003300:Copper; D004247:DNA; C427203:calf thymus DNA; D004156:Catechol Oxidase; C025205:1,10-phenanthroline