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

Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase.

The journal of physical chemistry. B - 7 Jun 2012

Kar Parimal, Knecht Volker

Abstract excerpt

Nonnucleoside reverse transcriptase inhibitors (NNRTIs) are key components of highly active antiretroviral therapy for the treatment of HIV-1. A common problem with the first generation NNRTIs is the emergence of mutations in the HIV-1 reverse transcriptase (RT), in particular, K103N and Y181C, which lead to resistance to the entire class of inhibitor. Here we have evaluated the relative affinity of the newly...

Read the complete abstract on PubMed

Topics

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

Share to Drug Design
Share to HIV Reverse Transcriptase
Share to Molecular Dynamics Simulation

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Molecular Structure

Share to Nitriles

Share to Pyrazoles

Share to Reverse Transcriptase Inhibitors

Source

Identifiers

PMID: 22574920
DOI: 10.1021/jp300818c

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

Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase.PMID 22574920Read ↗

Novel theoretically designed HIV-1 non-nucleoside reverse transcriptase inhibitors derived from nevirapine.Semantic proximity Read ↗

Mechanism of interaction of novel indolylarylsulfone derivatives with K103N and Y181I mutant HIV-1 reverse transcriptase in complex with its substrates.Semantic proximity Read ↗

Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallographySemantic proximity Read ↗

Multiple drugs and multiple targets: an analysis of the electrostatic determinants of binding between non-nucleoside HIV-1 reverse transcriptase inhibitors and variants of HIV-1 RT.Semantic proximity Read ↗

Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease.Semantic proximity Read ↗

Discovery of 2,4,5-Trisubstituted 6-Aminopyrimidines as Potent HIV-1 NNRTIs with Improved Resistance Profiles against the K103N/Y181C MutantSemantic proximity Read ↗

Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations.Semantic proximity Read ↗

The binding energetics of first- and second-generation HIV-1 protease inhibitors: implications for drug design.Semantic proximity Read ↗

Relationship of potency and resilience to drug resistant mutations for GW420867X revealed by crystal structures of inhibitor complexes for wild-type, Leu100Ile, Lys101Glu, and Tyr188Cys mutant HIV-1 reverse transcriptases.Semantic proximity Read ↗

Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations.Semantic proximity Read ↗

Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions.Semantic proximity Read ↗

Lersivirine, a Nonnucleoside Reverse Transcriptase Inhibitor with Activity against Drug-Resistant Human Immunodeficiency Virus Type 1Semantic proximity Read ↗

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