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Geometrical correlations useful for design of sequence‐specific DNA narrow groove binding ligands
Author(s) -
Zasedatelev A.S.
Publication year - 1991
Publication title -
febs letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.593
H-Index - 257
eISSN - 1873-3468
pISSN - 0014-5793
DOI - 10.1016/0014-5793(91)80395-j
Subject(s) - groove (engineering) , ligand (biochemistry) , molecule , crystallography , dna , chemistry , molecular geometry , acceptor , bond length , base pair , sequence (biology) , stereochemistry , materials science , physics , biochemistry , receptor , organic chemistry , metallurgy , condensed matter physics
Isohelical geometry of sequence‐specific DNA narrow groove binding ligands was analyzed in terms of H‐bond donor/acceptor complementarily between the base pair atoms facing into the narrow groove and the corresponding H‐bond donating atoms regularly disposed along the ligand molecule. Spatial correlations found in analytical form were applied to analysis of naturally occurring and hypothetical drug molecule structures. For the case of B‐like isohelices the permitted value of the distance L o between each two neighboring H‐bond donating atoms of the ligand as well as the bending angle τ o of the line subsequently connecting these atoms were estimated as follows: L o ⋍ (5.0±0.4) Å: τ o ⋍ (26±2)*.