6533b7defe1ef96bd1275d46

RESEARCH PRODUCT

Docking of indolo- and pyrrolo-pyrimidines to DNA. New DNA-interactive polycycles from amino-indoles/pyrroles and BMMA

Gaetano DattoloAntonino LauriaAlessandra MontalbanoPatrizia DianaAnna Maria AlmericoGirolamo CirrincionePaola Barraja

subject

Base pairStereochemistryOrganic ChemistryChromophoreSettore CHIM/08 - Chimica Farmaceuticalcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistrychemistryDocking (molecular)Docking DNA interaction indolopyrimidine pyrrolopyrimidine aminoindoles aminopyrroles BMMASide chainFree energiesDNAMinor groove

description

New indolo- and pyrrolo-pyrimidines of type 1-4 were studied for their ability to form stable complexes with DNA fragments. The calculated free energies of binding were found in the range -8.39 ÷ -16.72 Kcal/mol. The docking studies revealed a common binding mode with the chromophore intercalated between GC base pairs whereas the side chain lies along the minor groove.

yearjournalcountryeditionlanguage
2004-04-01
http://www.scopus.com/inward/record.url?eid=2-s2.0-2942655459&partnerID=MN8TOARS