title: Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques.
abstract: The interaction of CT-DNA with the drug mesalamine (5-ASA) at physiological pH has been investigated by absorption, emission, circular dichroism (CD), cyclic voltammetry (CV), viscosity studies and molecular modeling. Thermodynamic parameters (ΔH>0 and ΔS<0) indicated that hydrogen bond and van der Waals play main roles in the binding of 5-ASA to CT-DNA. Ethidium bromide (EB) displacement studies revealed that 5-ASA did not have any effect on ethidium bromide (EB) bound DNA which is indicative of groove binding. The results obtained from experimental and molecular modeling showed that 5-ASA is a minor groove binder of DNA and preferentially binds to GC rich regions.
authors.affiliation: Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, Iran. Electronic address: nahidshahabadi@yahoo.com.
authors.forename: Nahid
authors.initials: N
authors.lastname: Shahabadi
authors.forename: Soraya Moradi
authors.initials: SM
authors.lastname: Fili
authors.forename: Fahimeh
authors.initials: F
authors.lastname: Kheirdoosh
mesh_terms: D000818:Animals; D001665:Binding Sites; D002417:Cattle; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry*; D055664:Electrochemical Techniques; D004996:Ethidium / Q000737:chemistry; D006860:Hydrogen Bonding; D006863:Hydrogen-Ion Concentration; D019804:Mesalamine / Q000737:chemistry*; D062105:Molecular Docking Simulation; D009690:Nucleic Acid Conformation; D013056:Spectrophotometry, Ultraviolet; D055672:Static Electricity; D013816:Thermodynamics; D014783:Viscosity
chemical_list: D019804:Mesalamine; D004247:DNA; C427203:calf thymus DNA; D004996:Ethidium
keywords: CT-DNA; Groove binding; Mesalamine; Molecular docking