Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.
about
Obstructing toxin pathways by targeted pore blockageRecent progress in structure-based anti-influenza drug designMolecular dynamics, monte carlo simulations, and langevin dynamics: a computational reviewStructural basis for the function and inhibition of an influenza virus proton channelStructure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virusHigh-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transductionTwo birds with one stone? Possible dual-targeting H1N1 inhibitors from traditional Chinese medicineAn assay suitable for high throughput screening of anti-influenza drugsInhibitors of the influenza A virus M2 proton channel discovered using a high-throughput yeast growth restoration assayThe Influenza M2 Ectodomain Regulates the Conformational Equilibria of the Transmembrane Proton Channel: Insights from Solid-State Nuclear Magnetic ResonancemCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistanceFlipping in the pore: discovery of dual inhibitors that bind in different orientations to the wild-type versus the amantadine-resistant S31N mutant of the influenza A virus M2 proton channel.Watching Proteins Wiggle: Mapping Structures with Two-Dimensional Infrared Spectroscopy.Paramagnetic Cu(II) for probing membrane protein structure and function: inhibition mechanism of the influenza M2 proton channel.Modeling the membrane environment has implications for membrane protein structure and function: influenza A M2 protein.Discovery of novel dual inhibitors of the wild-type and the most prevalent drug-resistant mutant, S31N, of the M2 proton channel from influenza A virus.Emerging antiviral strategies to interfere with influenza virus entry.Structural basis for proton conduction and inhibition by the influenza M2 protein.Why bound amantadine fails to inhibit proton conductance according to simulations of the drug-resistant influenza A M2 (S31N).Theoretical frameworks for multiscale modeling and simulationMultiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel.2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel.Aminoadamantanes with persistent in vitro efficacy against H1N1 (2009) influenza AThe lipophilic bullet hits the targets: medicinal chemistry of adamantane derivativesDetection of proton movement directly across viral membranes to identify novel influenza virus M2 inhibitors.Viral miniproteinsHydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors.Structure-based design of novel naproxen derivatives targeting monomeric nucleoprotein of Influenza A virus.Molecular dynamics simulation in virus research.Discovery of Highly Potent Inhibitors Targeting the Predominant Drug-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular SimulationsActivation and proton transport mechanism in influenza A M2 channelAcid activation mechanism of the influenza A M2 proton channel.On the role of water density fluctuations in the inhibition of a proton channelAntiviral strategies against influenza virus: towards new therapeutic approaches.Exploring organosilane amines as potent inhibitors and structural probes of influenza a virus M2 proton channel.Mechanisms of Action of Novel Influenza A/M2 Viroporin Inhibitors Derived from Hexamethylene Amiloride.Affinity of Rimantadine Enantiomers against Influenza A/M2 Protein Revisited.Influenza A Virus Nucleoprotein: A Highly Conserved Multi-Functional Viral Protein as a Hot Antiviral Drug Target.Nanosecond Dynamics of InfluenzaA/M2TM and an Amantadine Resistant Mutant Probed by Time-Dependent Red Shifts of a Native Tryptophan.
P2860
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P2860
Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
Molecular dynamics simulation ...... tants of influenza A virus M2.
@en
type
label
Molecular dynamics simulation ...... tants of influenza A virus M2.
@en
prefLabel
Molecular dynamics simulation ...... tants of influenza A virus M2.
@en
P2093
P2860
P356
P1476
Molecular dynamics simulation ...... tants of influenza A virus M2.
@en
P2093
Chunlong Ma
Fanghao Hu
Giacomo Fiorin
Lawrence H Pinto
Michael L Klein
Robert A Lamb
Vincenzo Carnevale
P2860
P304
12834-12841
P356
10.1021/JA204969M
P407
P577
2011-07-21T00:00:00Z