title: Solution studies on the complex of 4'-epiadriamycin-d-(CGATCG)2 followed by time-resolved fluorescence measurement, diffusion ordered spectroscopy and restrained molecular dynamics simulations.
abstract: 4'-Epiadriamycin is a better-tolerated anthracycline drug, due to lesser cardiotoxicity. We report here a study of the 2:1 complex of 4'-epiadriamycin-d-(CGATCG)(2) by proton Nuclear Magnetic Resonance Spectroscopy which show the absence of sequential connectivities between C1pG2 and C5pG6 base pair steps and presence of intermolecular cross peaks of the drug and DNA. Our studies establish the role of 9OH, NH3+, 7O, 4OCH(3) groups in binding to DNA. Time-resolved fluorescence measurement and diffusion ordered spectroscopic studies reveal the formation of complex. The nonspecific interactions as well as those essential for biological activity are discussed along with its medicinal importance.
authors.affiliation: Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee 247 667, India.
authors.forename: Prashansa
authors.initials: P
authors.lastname: Agrawal
authors.forename: Sudhir Kumar
authors.initials: SK
authors.lastname: Barthwal
authors.forename: Girjesh
authors.initials: G
authors.lastname: Govil
authors.forename: Ritu
authors.initials: R
authors.lastname: Barthwal
mesh_terms: D000903:Antibiotics, Antineoplastic / Q000138:chemical synthesis / Q000737:chemistry*; D001483:Base Sequence; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D015251:Epirubicin / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry*; D005456:Fluorescent Dyes / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides / Q000138:chemical synthesis / Q000737:chemistry*; D017434:Protein Structure, Tertiary; D012996:Solutions / Q000737:chemistry; D013329:Structure-Activity Relationship; D013816:Thermodynamics; D013997:Time Factors
chemical_list: D000903:Antibiotics, Antineoplastic; D005456:Fluorescent Dyes; D009838:Oligodeoxyribonucleotides; D012996:Solutions; D015251:Epirubicin; D004247:DNA