cis-{Pt(NH3)2(L)}2+/+ (L = Cl, H2O, NH3) binding to purines and CO:: Does π-back-donation play a role?

被引:18
作者
Baik, MH [1 ]
Friesner, RA
Lippard, SJ
机构
[1] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA
[2] Indiana Univ, Sch Informat, Bloomington, IN 47405 USA
[3] Columbia Univ, Dept Chem, New York, NY 10027 USA
[4] MIT, Dept Chem, Cambridge, MA 02139 USA
关键词
D O I
10.1021/ic035022b
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The ability of cis-{Pt(NH3)(2)(L)}(2+/+), a molecular fragment of the anticancer drug cisplatin, to bind to purines and CO by pi-back-donation from Pt to the ligand was examined computationally. Optimized geometries and computed vibrational frequencies suggest that cis-{Pt(NH3)(2)(L)}(2+/+) (L = Cl, H2O, NH3) is a poor g-donor and that pi-back-donation does not play an important role for Pt(II)-ligand interactions in general.
引用
收藏
页码:8615 / 8617
页数:3
相关论文
共 40 条
[21]   Structure, recognition, and processing of cisplatin-DNA adducts [J].
Jamieson, ER ;
Lippard, SJ .
CHEMICAL REVIEWS, 1999, 99 (09) :2467-2498
[22]   VIBRATIONAL SPECTRA AND BONDING IN METAL CARBONYLS .2. INFRARED SPECTRA OF AMINE-SUBSTITUTED GROUP 6 CARBONYLS IN CO STRETCHING REGION [J].
KRAIHANZEL, CA ;
COTTON, FA .
INORGANIC CHEMISTRY, 1963, 2 (03) :533-&
[23]   DEVELOPMENT OF THE COLLE-SALVETTI CORRELATION-ENERGY FORMULA INTO A FUNCTIONAL OF THE ELECTRON-DENSITY [J].
LEE, CT ;
YANG, WT ;
PARR, RG .
PHYSICAL REVIEW B, 1988, 37 (02) :785-789
[24]  
Lupinetti AJ, 1998, ANGEW CHEM INT EDIT, V37, P2113, DOI 10.1002/(SICI)1521-3773(19980817)37:15<2113::AID-ANIE2113>3.0.CO
[25]  
2-2
[26]   Theoretical analysis of the bonding between CO and positively charged atoms [J].
Lupinetti, AJ ;
Fau, S ;
Frenking, G ;
Strauss, SH .
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (49) :9551-9559
[27]   Nonclassical metal carbonyls [J].
Lupinetti, AJ ;
Strauss, SH ;
Frenking, G .
PROGRESS IN INORGANIC CHEMISTRY, VOL 49, 2001, 49 :1-112
[28]  
Lupinetti AJ, 1999, CHEM-EUR J, V5, P2573, DOI 10.1002/(SICI)1521-3765(19990903)5:9<2573::AID-CHEM2573>3.0.CO
[29]  
2-J
[30]   DNA-ADDUCTS OF CIS-DIAMMINEDICHLOROPLATINUM(II) AND ITS TRANS ISOMER INHIBIT RNA-POLYMERASE-II DIFFERENTIALLY IN-VIVO [J].
MELLO, JA ;
LIPPARD, SJ ;
ESSIGMANN, JM .
BIOCHEMISTRY, 1995, 34 (45) :14783-14791