title: Preliminary theoretical analysis of pentamidine analogs effects on DNA minor groove recognition.
abstract: Molecular mechanics and DFT approach have been employed to analyze the interaction of pentamidine analogs with minor groove of d(CGCGAATTCGCG)2 DNA fragment. These studies provide rationalizations for the design of new analogs with enhanced DNA interaction affinity, and for more detailed understanding of their mode of action.
authors.affiliation: Department of Organic Chemistry, Faculty of Pharmacy, Medical University of Warsaw, 1 Banacha Str., 02 097 Warsaw, Poland.
authors.forename: Teresa
authors.initials: T
authors.lastname: Zołek
authors.forename: Dorota
authors.initials: D
authors.lastname: Maciejewska
mesh_terms: D000935:Antifungal Agents / Q000494:pharmacology*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004247:DNA / Q000737:chemistry / Q000187:drug effects*; D008958:Models, Molecular; D008968:Molecular Conformation; D010419:Pentamidine / Q000031:analogs & derivatives / Q000494:pharmacology*
chemical_list: D000935:Antifungal Agents; D010419:Pentamidine; D004247:DNA