The active site of HIV-1 protease

Medicinal Research Reviews

Volumn 21, Issue 4, 2001, Pages 348-353

  Mager, Peter P ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

HIV 1 protease; Medicinal chemistry; Molecular modeling; Molecular simulation

Indexed keywords

AMINO ACID; ASPARTIC ACID; CARBOXYL GROUP; GLYCINE; PROTEINASE; PROTEINASE INHIBITOR; THREONINE;

BINDING AFFINITY; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME SUBSTRATE COMPLEX; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; NONHUMAN; REVIEW;

BINDING SITES; CATALYTIC DOMAIN; HIV PROTEASE; HIV-1; MODELS, MOLECULAR; PROTEIN CONFORMATION;

EID: 0034974984     PISSN: 01986325     EISSN: None     Source Type: Journal    
DOI: 10.1002/med.1012     Document Type: Review

References (17)

1. Toward improvement anti-HIV chemotherapy: Therapeutic strategies for intervention with HIV-1 infections
2. Retroviral protease-like sequence in the yeast transposon Tyl
3. Nucleotide sequence of SRV-1: A type-D simian acquired immune deficiency syndrome retrovirus
4. A structural model for the retroviral proteases
5. An ab initio quantum mechanical model for the catalytic mechanism of HIV-1 protease
6. Rational design of peptide-based HIV proteinase inhibitors
7. Nonpeptide potent HIV-1 protease inhibitors
8. A check on rational drug design: Crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel g-turn mimetic inhibitor
9. Substrate-based cyclic peptidomimetics of Phe-Ile-Val that inhibit HIV-1 protease using a novel enzyme-binding mode
10. Clinically effective HIV-1 protease inhibitors
11. Irreversible inhibition of the HIV-1 protease: Targeting alkylating agents to the catalytic aspartate groups
12. Prediction of the protonation state of the active site aspartyl residues in HIV-1 protease-inhibitor complexes via molecular dynamics simulation
13. A second generation force field for the simulation of proteins, nucleic acids and organic molecules
14. Importance of correlation-gradient geometry optimization for molecular conformational analyses
15. Iterative partial eualization of orbital electronegativity - A rapid access to atomic charges
16. Comparative binding energy analysis of HIV-1 protease inhibitors: Incorporation of solvent effects and validation as a powerful tool in receptor-based drug design
17. Peptidomimetics - Tailored ezyme inhibitors