Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Genotype dependent QSAR for HIV-1 protease inhibition.

Journal of medicinal chemistry - 24 Mar 2005

Boutton Carlo W, De Bondt Hendrik L, De Jonge Marc R

Abstract excerpt

The development of drug-resistant viruses limits the therapeutic success of anti-HIV therapies. Some of these genetic HIV-variants display complex mutational patterns in their pol gene that codes for protease and reverse transcriptase, the most investigated molecular targets for antiretroviral therapy. In this paper, we present a computational structure-based approach to predict the resistance of a HIV-1 protease...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Carbamates
Share to Drug Resistance, Viral
Share to Furans

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to HIV Protease

Share to HIV Protease Inhibitors

Share to Quantitative Structure-Activity Relationship

Share to Sulfonamides

Share to Thermodynamics

Source

Identifiers

PMID: 15771454
DOI: 10.1021/jm049596h

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Genotype dependent QSAR for HIV-1 protease inhibition.PMID 15771454Read ↗

Predicting drug resistance of the HIV-1 protease using molecular interaction energy components.Semantic proximity Read ↗

Evaluating the potency of HIV-1 protease drugs to combat resistance.Semantic proximity Read ↗

Computational Prediction of HIV-1 Resistance to Protease Inhibitors.Semantic proximity Read ↗

Computational study of protein specificity: the molecular basis of HIV-1 protease drug resistance.Semantic proximity Read ↗

Prediction and molecular field view of drug resistance in HIV-1 protease mutants.Semantic proximity Read ↗

Structure-based phenotyping predicts HIV-1 protease inhibitor resistance.Semantic proximity Read ↗

Insights into the interaction mechanism of first-generation HIV-1 protease inhibitors with wild-type and mutant (D30N and L76V) enzymes through in-silico based approach.Semantic proximity Read ↗

Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir.Semantic proximity Read ↗

Prediction of HIV-1 protease inhibitor resistance using a protein-inhibitor flexible docking approach.Semantic proximity Read ↗

A contribution to the drug resistance mechanism of darunavir, amprenavir, indinavir, and saquinavir complexes with HIV-1 protease due to flap mutation I50V: a systematic MM-PBSA and thermodynamic integration study.Semantic proximity Read ↗

Prediction of HIV-1 protease inhibitor resistance by Molecular Modeling Protocols (MMPs) using GenMol software.Semantic proximity Read ↗

Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for binding and drug resistance.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.