Theoretical studies using an ab initio and molecular modelling combination method on the binding of sequence recognition altered bis-benzimidazoles to the minor groove of DNA

Journal of Biomolecular Structure & Dynamics
A M SapseJ W Lown

Abstract

Ab initio calculations (Hartree-Fock) using the 3-21G and the STO-3G Gaussian basis sets were performed on synthetic analogues of the minor groove binding bis-benzimidazole Hoechst 33258 designed to exhibit altered sequence recognition. Geometry optimized conformations, energies and distribution of electrostatic charges within the molecule were derived. The binding of the optimized conformations of the drug to both alternating and non-alternating (AT)n and (GC)n sequences were studied.

References

Jan 1, 1976·The Journal of Histochemistry and Cytochemistry : Official Journal of the Histochemistry Society·S A Latt, G Stetten
Mar 1, 1992·Antiviral Research·J W Lown
Oct 1, 1991·Journal of Biomolecular Structure & Dynamics·P MazurekJ W Lown
Jul 11, 1985·Nucleic Acids Research·K D Harshman, P B Dervan
Sep 20, 1987·Journal of Molecular Biology·P E PjuraR E Dickerson
Aug 1, 1981·Quarterly Reviews of Biophysics·A Pullman, B Pullman

❮ Previous
Next ❯

Citations

Feb 19, 2020·Journal of Biomolecular Structure & Dynamics·Poghos O VardevanyanArmen T Karapetyan

❮ Previous
Next ❯

Related Concepts

Related Feeds

Anthelmintics

Anthelmintics or antihelminthics are a group of antiparasitic drugs that expel parasitic worms (helminths) and other internal parasites from the body by either stunning or killing them and without causing significant damage to the host. Discover the latest research on anthelmintics here.