title: Multi-spectroscopic and molecular modeling studies on the interaction of antihypertensive drug; methyldopa with calf thymus DNA.
abstract: The interaction of methyldopa [(S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl propanoic acid] (MDP), antihypertensive drug, with calf thymus DNA (ct-DNA) was investigated by spectroscopic and viscometric techniques. According to the results arising from the fluorescence spectra, viscosity measurements and molecular modeling studies; we concluded that MDP is a minor groove binder of ct-DNA and preferentially binds to AT rich regions. Ethidium bromide (EB) displacement studies revealed that MDP did not have any effect on EB bound DNA which is indicative of groove binding. This was substantiated by displacement studies with Hoechst 33258, a known minor groove binder. In addition, the thermodynamic and docking parameters showed that hydrophobic interaction via drug aromatic rings inside the DNA minor groove plays a major role in this binding.
authors: Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, Iran. nahidshahabadi@yahoo.com.
authors: Nahid
authors: N
authors: Shahabadi
authors: Maryam
authors: M
authors: Maghsudi
mesh_terms: D020856:AT Rich Sequence; D000818:Animals; D000959:Antihypertensive Agents / Q000378:metabolism* / Q000494:pharmacology; D001665:Binding Sites; D006690:Bisbenzimidazole / Q000378:metabolism; D002417:Cattle; D002942:Circular Dichroism; D004247:DNA / Q000378:metabolism*; D004996:Ethidium / Q000378:metabolism; D008750:Methyldopa / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D013050:Spectrometry, Fluorescence; D013816:Thermodynamics
chemical_list: D000959:Antihypertensive Agents; D008750:Methyldopa; D004247:DNA; C427203:calf thymus DNA; D004996:Ethidium; D006690:Bisbenzimidazole