HIV Detail Information
Amprenavir (ID: DG00576) Resistance Data of HIV
Drug Resistance Data Categorized by Their Corresponding Mechanisms | ||||||||||||||
Aberration of the Drug's Therapeutic Target (ADTT) | ||||||||||||||
Key Molecule: HIV1 Reverse transcriptase (HIV1 RT) | ||||||||||||||
Resistant Disease | Human immunodeficiency virus infection [ICD-11: 1C62.0] | |||||||||||||
Molecule Alteration |
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Resistant Drug | Amprenavir | |||||||||||||
Experimental Note | Discovered Using In-vivo Testing Model | |||||||||||||
Experiment for Molecule Alteration |
Molecular dynamics simulation assay | |||||||||||||
Mechanism Description | The decrease in van der Waals interactions of inhibitors with the mutated PR relative to the wild-type (WT) PR mostly drives the drug resistance of mutations toward these four inhibitors. The energy decomposition analysis further indicates that the drug resistance of mutations can be mainly attributed to the change in van der Waals and electrostatic energy of some key residues (around Ala28/Ala28' and Ile50/Ile50'). Our work can give significant guidance to design a new generation of anti-AIDS inhibitors targeting PR in the therapy of patients with HIV-1 infection. | |||||||||||||
References
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