Crystallization (Comment) | Organism |
---|---|
computer simulation of subtype AE HIV-1 protease with the drugs lopinavir and nelfinavir. Comparison of the interactive mechanisms of lopinavir and nelfinavir with HIV-1 protease shows that the presence of a dodecahydroisoquinoline ring at the P10 subsite, a [2-(2,6-dimethylphenoxy)acetyl]amino group at the P20 subsite, and an N2 atom at the P2 subsite could improve the binding affinity of the drug with AE HIV-1 protease | Human immunodeficiency virus 1 |
Protein Variants | Comment | Organism |
---|---|---|
V82F | mutation at the active site resulting in a conformational change of 79's loop region and displacement of inhibitor lopinavir from its proper binding site, changes lead to rotation of the side-chains of residues D25 and I50'. The conformation of the binding cavity is deformed asymmetrically and some interactions between protease and lopinavir are destroyed | Human immunodeficiency virus 1 |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
lopinavir | computer simulation of comlex with HIV-1 protease | Human immunodeficiency virus 1 | |
nelfinavir | computer simulation of comlex with HIV-1 protease | Human immunodeficiency virus 1 |
Organism | UniProt | Comment | Textmining |
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Human immunodeficiency virus 1 | - |
- |
- |