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

Authors
KATO R TAKAHASHI O KISO Y MORIGUCHI I HIRONO S
Citation
R. Kato et al., SOLUTION STRUCTURE OF HIV-1 PROTEASE-ALLOPHENYLNORSTATINE DERIVATIVE INHIBITOR COMPLEX OBTAINED FROM MOLECULAR-DYNAMICS SIMULATION, Chemical and Pharmaceutical Bulletin, 42(1), 1994, pp. 176-178
Citations number
16
Categorie Soggetti
Pharmacology & Pharmacy",Chemistry
Journal title
Chemical and Pharmaceutical Bulletin → ACNP
ISSN journal
00092363
Volume
42
Issue
1
Year of publication
1994
Pages
176 - 178
Database
ISI
SICI code
0009-2363(1994)42:1<176:SSOHPD>2.0.ZU;2-Z
Abstract
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 i nhibitor gave considerably smaller fluctuation at P3 site, which forme d hydrogen bonding with the enzyme flap region.