Energy basis of recognition of base pair for platinum-based antitumour drug ZD0473 and cisplatin

Science in China, Series B: Chemistry

Volumn 51, Issue 4, 2008, Pages 359-366

  Hao, Lan ^a   Li, XiChen ^a   Tan, HongWei ^a   Chen, GuangJu ^a   Jia, MuXin ^b  

^a BEIJING NORMAL UNIVERSITY   (China)

^b BEIJING GENERAL RESEARCH INSTITUTE OF MINING AND METALLURGY   (China)

Author keywords

3 AG5 ; 3 GA5 ; DNA fragment; GG; MM uff HF lanl2dz; ZD0473

Indexed keywords

BINDING ENERGY; DNA; MOLECULAR MECHANICS; PLATINUM COMPOUNDS; QUANTUM CHEMISTRY;

ANTITUMOUR DRUG; DNA FRAGMENTS; MONOLIGAND COMPOUND;

DRUG PRODUCTS;

EID: 43349089592     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-007-0112-y     Document Type: Article

References (13)

1. Elizabeth R J, Stephen J L. Structure, recognition, and processing of cisplatin-DNA adduct. Chem Rev, 1999, 99(8): 2467-2498
2. Hambley T W. The influence of structure on the activity toxicity of Pt anti-cancer drugs. Coord Chem Rev, 1997, 166: 181-223
3. Chen Y, Parkison J A, Guo Z, Brown T, Sadler P J. A new platinum anticancer drug forms a highly stereoselective adduct with duplex DNA. Angew Chem, Intern Ed, 1999, 38(13/14): 2060-2063
4. Jia Muxin, Qu Wenwen, Yang Zuoyin, Chen Guangju. Theoretical study on the factors that affect the structure and stability of the adduct of a new Platinum anticancer drug with a duplex DNA. Int J Mod Phys B, 2005, 19(15-17): 2939-2949
5. Chen Y., Guo Z., Parkinson J.A., Sadler P.J. Kinetic control of a sterically hindered platinum picoline anticancer complex with guanosine 5′-monophosphate and glutathione. J Chem Soc Dalton Trans, 1998, 3577-3585
6. Davies M S, Berners-Price S J, Hambley T W. Rates of platination of-AG-and-GA-containing double strand oligonucleotides: effect of chloride concentration. J Inorg Biochem, 2000, 79: 167-172
7. Jia M X, Qu W W, Chen G J, Liu R Z. Theoretical study on the differences between the interactions of Pt-complex anticancer drug ZD0473 with the double and single strand DNA. Chem J Chin U, 2004, 25(8): 1481-1484
8. 2+ and DNA adduct and its bonding characteristics. Sci China Ser B-Chem, 2004, 47(1): 67-74
9. 2 oxidative addition. J Phys Chem, 1996, 100: 19357-19363
10. Hay P J, Wadt W R. Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg. J Chem Phys, 1985, 82(1): 270-283
11. Becke A D. Density-functional thermochemistry. III. The role of exact exchange. J Phys Chem, 1993, 98: 5648-5652
12. Frisch M J, Trucks G W, Schlegel H B, Scuseria G E, Robb M A, Cheeseman J R, Zakrzewski V G, Montgomery J A, Stratman R E, Burant J C, Dapprich S, Millam J M, Daniels A D, Kudin K N, Strain M C, Farkas O, Tonasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson G A, Ayala P Y, Cui Q, Morokuma K, Malick D K, Rabuck A D, Raghavachari K, Foresman J B, Cioslowski J, Ortiz J V, Baboul A G, Stefanov B B, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin R L, Fox D J, Keith T, Al-Laham M A, Peng C Y, Nanayakkara A, Gonzalez C, Challacombe M, Gill P M, Johnson B, Chen W, Wong M W, Andres J L, Gonzalez C, Head-Gordon M, Replogle E S, Pople J A. GAUSSIAN 98, Revision A.3, Gaussion, Inc., Pittsburgh, PA, 1998
13. Lee C, Duman W, Parr R G. Development of the colle-salvettti correlation-energy formula into a functional of the electron density. Phys Rev B, 1988, 37: 785-789