Conformation of neolignans that bind to the arginine residue in adenosine-kinase from Leishmania donovani

被引：6

作者：

Costa, MCA ^{[1
]}

Barata, LES ^{[1
]}

Takahata, Y ^{[1
]}

机构：

[1] Univ Estadual Campinas, Inst Quim, BR-13083970 Campinas, SP, Brazil

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1999年 / 464卷 / 1-3期

关键词：

neolignans; active conformation; leishmaniasis; AM1 and MM methods;

D O I：

10.1016/S0166-1280(98)00560-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Most probable conformation of synthetic neolignans that are active against visceral leishmaniasis is proposed. It is based upon an assumption that the receptor of the neolignans is the arginine residue in the adenosine-kinase from Leishmania donovani. A planar form (the two phenyl rings are stretched out) of the neolignans is most likely a preferred receptor site conformation. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：281 / 287

页数：7

共 16 条

[1] NEOLIGNANS OF VIROLA-SURINAMENSIS [J].

BARATA, LES ;

BAKER, PM ;

GOTTLIEB, OR ;

RUVEDA, EA .

PHYTOCHEMISTRY, 1978, 17 (04) :783-786

[2]

BARATA LES, 1976, THESIS U ESTADUAL CA

[3]

Costa MCA, 1997, J COMPUT CHEM, V18, P712, DOI 10.1002/(SICI)1096-987X(19970415)18:5<712::AID-JCC11>3.0.CO

[4]

2-E

[5] THE IN-VITRO ANTILEISHMANIAL ACTIVITY OF INHIBITORS OF ERGOSTEROL BIOSYNTHESIS [J].

GEBREHIWOT, A ;

FROMMEL, D .

JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY, 1993, 32 (06) :837-842

[6] PROBING THE FUNCTION(S) OF ACTIVE-SITE ARGININE RESIDUE IN LEISHMANIA-DONOVANI ADENOSINE KINASE [J].

GHOSH, M ;

DATTA, AK .

BIOCHEMICAL JOURNAL, 1994, 298 :295-301

[7] THE SURFACE-MEMBRANE 3'-NUCLEOTIDASE NUCLEASE OF TRYPANOSOMATID PROTOZOA [J].

GOTTLIEB, M .

PARASITOLOGY TODAY, 1989, 5 (08) :257-260

[8]

KEARSLEY S, 1992, TETRAHEDRON COMPUTER, V3, P615

[9]

KORNBERG A, 1951, J BIOL CHEM, V193, P481

[10]

LEHNINGER AL, 1976, BIOQUIMICA, P214

← 1 2 →