Cis-[Pt(NH3)2]2+ Coordination to the N7 and O6 Sites of a Guanine-Cytosine Pair: Disruption of the Watson-Crick H-Bonding Pattern | Sciact - CRIS-система Института катализа

Cis-[Pt(NH3)2]2+ Coordination to the N7 and O6 Sites of a Guanine-Cytosine Pair: Disruption of the Watson-Crick H-Bonding Pattern Научная публикация

Журнал

Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448

Вых. Данные

Год: 1999, Том: 314, Номер: 5-6, Страницы: 496-500 Страниц : 5 DOI: 10.1016/S0009-2614(99)01156-2

Ключевые слова

AB-INITIO; METAL-CATIONS; BASE-PAIRS; DNA; WATER; BSSE; MOLECULES; COMPLEXES; ENERGIES; METHANOL

Авторы

Pelmenschikov Alexander ¹ , Zilberberg Igor ² , Leszczynski Jerzy ¹ , Famulari Antonino ^3,4 , Sironi Maurizio ^3,4 , Raimondi Mario ^3,4

Организации

1	The Computational Center for Molecular Structure and Interactions, Department of Chemistry Jackson State University, Jackson, MS 39217, USA
2	Boreskov Institute of Catalysis, 630090 Novosibirsk, Russian Federation
3	Dipartimento di Chimica ed Elettrochimica, Universita di Milano, 20133 Milano, Italy
4	Centro CNR-CSRSRC, Universita’ di Milano, 20133 Milano, Italy

Информация о финансировании (5)

1	National Science Foundation	OSR-9452857
2	United States Department of Defense	DAAG 55-98-1-0247
3	United States Army Research Laboratory	BT25-BR-005
4	United States Army Research Laboratory	DAAH04-95-2-0003/DAAH04-95-C-0008
5	United States Army Corps of Engineers	DACA 39-96-M-2060

The coordination of cis-[Pt(NH3)2]2+ to the N7 and O6 sites of guanine of the guanine–cytosine (GC) nucleic base pair is studied at the SCF, DFT and MP2 levels of theory, and by an ab initio BSSE-free optimization algorithm, concerning the possible mechanisms of the antitumor activity of cis-[Pt(NH3)2Cl2]. The calculations show that the cis-[Pt(NH3)2]2+ coordination results in the breakage of the (cytosine)N4–H–O6(guanine) H-bond and a substantial non-planarity of the GC moiety. From an analysis of the electrostatic potential at the O6, N1–H and N2–H sites of cis-[Pt(NH3)2G]2+ we can explain the predicted changes in geometry and binding energy of the GC complex.

Pelmenschikov A. , Zilberberg I. , Leszczynski J. , Famulari A. , Sironi M. , Raimondi M.
Cis-[Pt(NH3)2]2+ Coordination to the N7 and O6 Sites of a Guanine-Cytosine Pair: Disruption of the Watson-Crick H-Bonding Pattern
Chemical Physics Letters. 1999. V.314. N5-6. P.496-500. DOI: 10.1016/S0009-2614(99)01156-2 WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	16 февр. 1999 г.
Опубликована в печати:	10 дек. 1999 г.
Опубликована online:	20 дек. 1999 г.

Web of science:	WOS:000084297700015
Scopus:	2-s2.0-0001741596
РИНЦ:	13309651
Chemical Abstracts:	1999:806850
Chemical Abstracts (print):	132:146303
OpenAlex:	W2038453479

БД	Цитирований
Web of science	47
Scopus	45
РИНЦ	46
OpenAlex	50