Literature DB >> 7918250

A search for specificity in DNA-drug interactions.

G Cruciani1, P J Goodford.   

Abstract

The GRID force field and a principal component analysis have been used in order to predict the interactions of small chemical groups with all 64 different triplet sequences of B-DNA. Factors that favor binding to guanine-cytosine base pairs have been identified, and a dictionary of ligand groups and their locations is presented as a guide to the design of specific DNA ligands.

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Year:  1994        PMID： 7918250     DOI： 10.1016/0263-7855(94)80076-6

Source DB:  PubMed          Journal:  J Mol Graph        ISSN： 0263-7855


  4 in total

1.  Peroxisome proliferator-activated receptors target family landscape: a chemometrical approach to ligand selectivity based on protein binding site analysis.

Authors:  Bernard Pirard
Journal:  J Comput Aided Mol Des       Date:  2003-11       Impact factor: 3.686

2.  Wavelets and molecular structure.

Authors:  M Carson
Journal:  J Comput Aided Mol Des       Date:  1996-08       Impact factor: 3.686

3.  Structure-affinity relationships for the binding of actinomycin D to DNA.

Authors:  J Gallego; A R Ortiz; B de Pascual-Teresa; F Gago
Journal:  J Comput Aided Mol Des       Date:  1997-03       Impact factor: 3.686

4.  Chemometric rationalization of the structural and physicochemical basis for selective cyclooxygenase-2 inhibition: toward more specific ligands.

Authors:  E Filipponi; V Cecchetti; O Tabarrini; D Bonelli; A Fravolini
Journal:  J Comput Aided Mol Des       Date:  2000-03       Impact factor: 3.686
  4 in total

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