PhD Mid-term Seminar Series: DFT and semi-empirical methods to study duplex- and G-quadruplex-DNA interacting Mo-based drug
CIC nanoGUNE Seminars
- Speaker
-
Iker Ortiz, Theory Group
- When
-
2019/12/02
12:00 - Place
- nanoGUNE seminar room, Tolosa Hiribidea 76, Donostia - San Sebastian
- Add to calendar
-
iCal
****
**DFT and semi-empirical methods to study duplex- and G-quadruplex-DNA
interacting Mo-based drug**
It has been shown that G- quadruplex structures has a key role in the
transcription precess regulation [1] and the interaction between G-quadruplex
and planar ligands in metallic complexes have proven to have good anti-tumoral
activity, which can be used in chemotherapy [2]. Different studies have shown
that phen and derivatives interact directly with G-quadruplex guanine bases
and stabilize the structure [3,4]. Stabilization of the G-quadruplex
structures inhibits telomerase activity [5], which is involved in most of
cancer cell lines and stops the cancer cell growth. [Mo(μ-C3H5)Br(CO)2(phen)]
was observed to be cytotoxic to several cancer cell lines in previous
experimental studies [6], we studied its interaction with duplex-DNA and
G-quadruplexes DNA by means of computational techniques.
[1] E. Y. Lam, D. Beraldi, D. Tannahill, S. Balasubramanian, Nat. Commun.
2013, 4, 1796.
[2] L. B. Hendry, V. B. Mahesh, E. D. Bransome, Jr., D. E. Ewing, Mutat. Res.
Fund. Mol. Mech. Mut. 2007, 623, 5371.
[3] G. Biffi, D. Tannahill, J. McCarrerty, S. Balasubramanian, Nat. Chem.
2013, 5, 182.
[4] E. Y. Lam, D. Beraldi, D. Tannahill, S. Balasubramanian, Nat. Commun.
2013, 4, 1796.
[5] M. C. Nielsen, J. Borch, T. Ulven, Bioorg. Med. Chem. 2009, 17, 8241.
[6] Bandarra, D., Lopes, M., Lopes, T., Almeida, J., Saraiva, M. S.,
Vasconcellos-Dias, M., ... & Meireles, M. (2010). Mo (II) complexes: A new
family of cytotoxic agents?. Journal of inorganic biochemistry, 104(11),
1171-1177.