SOLUTION STRUCTURE OF HIV-1 PROTEASE-ALLOPHENYLNORSTATINE DERIVATIVE INHIBITOR COMPLEX OBTAINED FROM MOLECULAR-DYNAMICS SIMULATION

被引：0

作者：

KATO, R

TAKAHASHI, O

KISO, Y

MORIGUCHI, I

HIRONO, S

机构：

[1] KITASATO UNIV, SCH PHARMACEUT SCI, MINATO KU, TOKYO, TOKYO 108, JAPAN

[2] NIKKO KYODO CO LTD, PHARMACEUT & BIOTECHNOL LAB, TODA, SAITAMA 335, JAPAN

[3] KYOTO PHARMACEUT UNIV, DEPT MED CHEM, YAMASHINA KU, KYOTO 607, JAPAN

来源：

CHEMICAL & PHARMACEUTICAL BULLETIN | 1994年 / 42卷 / 01期

关键词：

AIDS; HIV PROTEASE INHIBITOR; ALLOPHENYLNORSTATINE; MOLECULAR DYNAMICS; SOLUTION STRUCTURE;

D O I：

暂无

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Structures of two enzyme-inhibitor complexes of human immunodeficiency virus-1 protease with allophenylnorstatine derivatives were obtained from molecular dynamics simulation in aqueous solution. The stronger inhibitor gave considerably smaller fluctuation at P3 site, which formed hydrogen bonding with the enzyme flap region.

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页码：176 / 178

页数：3

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