DNA minor-groove recognition by small molecules

S Neidle - Natural product reports, 2001 - pubs.rsc.org
DNA has for many years been the traditional target for chemotherapeutic intervention1 in
human cancers, especially for those where high proliferation rates of some tumour cell types …

DNA-binding of drugs used in medicinal therapies

G Bischoff, S Hoffmann - Current medicinal chemistry, 2002 - ingentaconnect.com
The interactions of various low-molecular weight substances with DNA are naturally relevant
mechanisms in the cellular cycle and so also used in medicinal treatment. Depending on the …

Structural comparison of anticancer drug-DNA complexes: adriamycin and daunomycin

CA Frederick, LD Williams, G Ughetto… - Biochemistry, 1990 - ACS Publications
Revised Manuscript Received August 14, 1989 abstract: The anticancer drugs adriamycin
and daunomycin have each been crystallized with the DNA sequence d (CGATCG) and the …

Co-crystal structure of TBP recognizing the minor groove of a TATA element

JL Kim, DB Nikolov, SK Burley - Nature, 1993 - nature.com
The three-dimensional structure of a TATA-box binding polypeptide complexed with the
TATA element of the adenovirus major late promoter has been determined by X-ray …

Sequence-dependent DNA structure: the role of base stacking interactions

CA Hunter - Journal of molecular biology, 1993 - Elsevier
The sequence-dependent structure of DNA is analysed on the basis of the energetics of the
base stacking (π-π) interactions. The conformational preferences of the ten possible base …

Structural characterization of a 2: 1 distamycin Ad (CGCAAATTGGC) complex by two-dimensional NMR.

JG Pelton, DE Wemmer - Proceedings of the National …, 1989 - National Acad Sciences
Two-dimensional NMR has been used to study the 2: 1 distamycin Ad (CGCAAATTGGC). d
(GCCAATTTGCG) complex. The nuclear Overhauser effect spectroscopy (NOESY) …

Docking studies on DNA-ligand interactions: building and application of a protocol to identify the binding mode

CG Ricci, PA Netz - Journal of chemical information and modeling, 2009 - ACS Publications
Despite DNA being an important target for several drugs, most of the docking programs are
validated only for proteins and their ligands. In this paper, we used AutoDock 4.0 to perform …

DNA sequence dependent binding modes of 4', 6-diamidino-2-phenylindole (DAPI)

WD Wilson, FA Tanious, HJ Barton, RL Jones… - Biochemistry, 1990 - ACS Publications
Revised Manuscript Received May 31, 1990 abstract; The interactions of DAPI with natural
DNA and synthetic polymers have been investigated by hydrodynamic, DNase Ifootprinting …

Conformational analysis of flexible ligands in macromolecular receptor sites

AR Leach, ID Kuntz - Journal of Computational Chemistry, 1992 - Wiley Online Library
A computational method for exploring the orientational and conformational space of a
flexible ligand within a macromolecular receptor site is presented. The approach uses a …

The structure of DAPI bound to DNA

TA Larsen, DS Goodsell, D Cascio… - Journal of …, 1989 - Taylor & Francis
The structure of the DNA fluorochrome 4′-6-diamidine-2-phenyl indole (DAPI) bound to the
synthetic B-DNA oligonucleotide CGCGAATTCGCG has been solved by single crystal x-ray …