Molecular drug design, synthesis and crystal structure determination of CuII-SnIV heterobimetallic core: DNA binding and cleavage studies. - Université de Rennes Accéder directement au contenu
Article Dans Une Revue European Journal of Medicinal Chemistry Année : 2012

Molecular drug design, synthesis and crystal structure determination of CuII-SnIV heterobimetallic core: DNA binding and cleavage studies.

Farukh Arjmand
  • Fonction : Auteur correspondant
Shazia Parveen
  • Fonction : Auteur
Mohd Afzal
  • Fonction : Auteur
Loïc Toupet

Résumé

A novel heterobimetallic Cu(II)-Sn(IV) complex 1 bearing bioactive 1,10-phenanthroline pharmacophore ligand scaffold was synthesized and characterized by elemental analysis, IR, UV-vis spectroscopy, Mass (ESI and FAB) and X-ray crystallography. The in vitro DNA binding studies of complex 1 with CT DNA was carried out by various biophysical and molecular docking techniques which revealed that complex 1 binds to DNA through intercalation in the minor groove having AT-rich sequences. Complex 1 exhibits high chemical nuclease activity cleaving supercoiled pBR322 DNA via hydrolytic pathway which was further evidenced by T4 DNA ligase assay. The complex 1 shows high inhibitory activity against Topo I at a very low concentration (15 μM), suggesting that complex 1 is an efficient catalytic inhibitor of human Topo I and further validated by molecular docking studies.

Dates et versions

hal-00855323 , version 1 (29-08-2013)

Identifiants

Citer

Farukh Arjmand, Shazia Parveen, Mohd Afzal, Taibi Ben Hadda, Loïc Toupet. Molecular drug design, synthesis and crystal structure determination of CuII-SnIV heterobimetallic core: DNA binding and cleavage studies.. European Journal of Medicinal Chemistry, 2012, 49, pp.141-50. ⟨10.1016/j.ejmech.2012.01.005⟩. ⟨hal-00855323⟩
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