List of works - Thanyada Rungrotmongkol

A novel flavanone derivative inhibits dengue virus fusion and infectivity

scientific article published on 19 January 2018

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

scientific article

Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1 ⬇️

scientific article published on July 4, 2012

Butoxy Mansonone G Inhibits STAT3 and Akt Signaling Pathways in Non-Small Cell Lung Cancers: Combined Experimental and Theoretical Investigations.

scientific article published on 28 March 2019

Cardol triene inhibits dengue infectivity by targeting kl loops and preventing envelope fusion

scientific article published in Scientific Reports

Combination of Experimental and Theoretical Investigations of MnOx/Ce0.9Zr0.1O2 Nanorods for Selective Catalytic Reduction of NO with Ammonia

Combinatorial design of avian influenza neuraminidase inhibitors containing pyrrolidine core with a reduced susceptibility to viral drug resistance

scientific article

Combined QM/MM mechanistic study of the acylation process in furin complexed with the H5N1 avian influenza virus hemagglutinin's cleavage site

scientific article published in July 2009

Computational screening of fatty acid synthase inhibitors against thioesterase domain

scientific article published on 21 November 2017

Computational studies of influenza A virus at three important targets: hemagglutinin, neuraminidase and M2 protein

scientific article

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1.

scientific article

Designed antiviral ankyrin – A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1

article

Drugs against avian influenza a virus: design of novel sulfonate inhibitors of neuraminidase N1.

scientific article published on January 2014

Dynamic behavior of avian influenza A virus neuraminidase subtype H5N1 in complex with oseltamivir, zanamivir, peramivir, and their phosphonate analogues

scientific article published in October 2009

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir

scientific article published on 12 October 2016

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation ⬇️

scientific article published on June 7, 2013

Effects of rhodomyrtone on Gram-positive bacterial tubulin homologue FtsZ.

scientific article published on 02 February 2017

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses ⬇️

scientific article published on January 1, 2013

Evolution of human receptor binding affinity of H1N1 hemagglutinins from 1918 to 2009 pandemic influenza A virus

scientific article

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

article

How amantadine and rimantadine inhibit proton transport in the M2 protein channel

scientific article published on 8 June 2008

How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system? ⬇️

scientific article published on November 11, 2010

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

scientific article published on 22 August 2009

Immuno-informatics driven proteome-wide investigation revealed novel peptide-based vaccine targets against emerging multiple drug resistant Providencia stuartii

scientific article published on 31 January 2018

In silico screening for potent inhibitors against the NS3/4A protease of hepatitis C virus

scientific article published on January 2014

Inclusion complexation of pinostrobin with various cyclodextrin derivatives

scientific article

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis

scientific article published in Scientific Reports

Key binding and susceptibility of NS3/4A serine protease inhibitors against hepatitis C virus

scientific article published on April 2014

Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex ⬇️

scientific article published on December 29, 2011

Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease

scientific article published on 2 September 2015

Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and Venezuelan equine encephalitis viruses: molecular dynamics simulations and free energy calculations

scientific article published on October 29, 2010

Molecular insights into human receptor binding to 2009 H1N1 influenza A hemagglutinin

Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins

scientific article published on 11 November 2017

Molecular insights into the binding affinity and specificity of the hemagglutinin cleavage loop from four highly pathogenic H5N1 isolates towards the proprotein convertase furin

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach.

scientific article

Morphology-Dependent Properties of MnOx/ZrO2–CeO2 Nanostructures for the Selective Catalytic Reduction of NO with NH3

Nitric oxide promotes cancer cell dedifferentiation by disrupting an Oct4:caveolin-1 complex: A new regulatory mechanism for cancer stem cell formation

scientific article published in Journal of Biological Chemistry

Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

scientific article published on 15 May 2008

Physical properties and biological activities of hesperetin and naringenin in complex with methylated β-cyclodextrin

scientific article

Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis

scientific article published on 02 August 2018

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study

scientific article published in July 2010

Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube

scientific article published on 6 December 2012

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

scientific article published on 6 October 2016

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

scientific article

Source of oseltamivir resistance in avian influenza H5N1 virus with the H274Y mutation

scientific article

Structural insight of DNA topoisomerases I from camptothecin-producing plants revealed by molecular dynamics simulations

scientific article

Structure–Activity Relationships of NiO on CeO2 Nanorods for the Selective Catalytic Reduction of NO with NH3: Experimental and DFT Studies

article published in 2014

Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus.

scientific article

Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus

scientific article published on 26 January 2012

Synthesis, Biological Evaluation and Molecular Docking of Avicequinone C Analogues as Potential Steroid 5α-Reductase Inhibitors

scientific article published on January 2017

The significance of naturally occurring neuraminidase quasispecies of H5N1 avian influenza virus on resistance to oseltamivir: a point of concern

scientific article published on 02 March 2016

Two novel antimicrobial defensins from rice identified by gene coexpression network analyses

scientific article published on 12 August 2016

Understanding of known drug-target interactions in the catalytic pocket of neuraminidase subtype N1.

scientific article published in June 2008

Why amantadine loses its function in influenza m2 mutants: MD simulations

scientific article published in April 2009

pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan: MD simulations

scientific article published on 21 September 2016

List of works by Thanyada Rungrotmongkol

A novel flavanone derivative inhibits dengue virus fusion and infectivity

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1 ⬇️

Butoxy Mansonone G Inhibits STAT3 and Akt Signaling Pathways in Non-Small Cell Lung Cancers: Combined Experimental and Theoretical Investigations.

Cardol triene inhibits dengue infectivity by targeting kl loops and preventing envelope fusion

Combination of Experimental and Theoretical Investigations of MnOx/Ce0.9Zr0.1O2 Nanorods for Selective Catalytic Reduction of NO with Ammonia

Combinatorial design of avian influenza neuraminidase inhibitors containing pyrrolidine core with a reduced susceptibility to viral drug resistance

Combined QM/MM mechanistic study of the acylation process in furin complexed with the H5N1 avian influenza virus hemagglutinin's cleavage site

Computational screening of fatty acid synthase inhibitors against thioesterase domain

Computational studies of influenza A virus at three important targets: hemagglutinin, neuraminidase and M2 protein

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1.

Designed antiviral ankyrin – A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1

Drugs against avian influenza a virus: design of novel sulfonate inhibitors of neuraminidase N1.

Dynamic behavior of avian influenza A virus neuraminidase subtype H5N1 in complex with oseltamivir, zanamivir, peramivir, and their phosphonate analogues

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation ⬇️

Effects of rhodomyrtone on Gram-positive bacterial tubulin homologue FtsZ.

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses ⬇️

Evolution of human receptor binding affinity of H1N1 hemagglutinins from 1918 to 2009 pandemic influenza A virus

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

How amantadine and rimantadine inhibit proton transport in the M2 protein channel

How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system? ⬇️

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

Immuno-informatics driven proteome-wide investigation revealed novel peptide-based vaccine targets against emerging multiple drug resistant Providencia stuartii

In silico screening for potent inhibitors against the NS3/4A protease of hepatitis C virus

Inclusion complexation of pinostrobin with various cyclodextrin derivatives

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis

Key binding and susceptibility of NS3/4A serine protease inhibitors against hepatitis C virus

Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex ⬇️

Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease

Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and Venezuelan equine encephalitis viruses: molecular dynamics simulations and free energy calculations

Molecular insights into human receptor binding to 2009 H1N1 influenza A hemagglutinin

Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins

Molecular insights into the binding affinity and specificity of the hemagglutinin cleavage loop from four highly pathogenic H5N1 isolates towards the proprotein convertase furin

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach.

Morphology-Dependent Properties of MnOx/ZrO2–CeO2 Nanostructures for the Selective Catalytic Reduction of NO with NH3

Nitric oxide promotes cancer cell dedifferentiation by disrupting an Oct4:caveolin-1 complex: A new regulatory mechanism for cancer stem cell formation

Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

Physical properties and biological activities of hesperetin and naringenin in complex with methylated β-cyclodextrin

Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study

Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

Source of oseltamivir resistance in avian influenza H5N1 virus with the H274Y mutation

Structural insight of DNA topoisomerases I from camptothecin-producing plants revealed by molecular dynamics simulations

Structure–Activity Relationships of NiO on CeO2 Nanorods for the Selective Catalytic Reduction of NO with NH3: Experimental and DFT Studies

Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus.

Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus

Synthesis, Biological Evaluation and Molecular Docking of Avicequinone C Analogues as Potential Steroid 5α-Reductase Inhibitors

The significance of naturally occurring neuraminidase quasispecies of H5N1 avian influenza virus on resistance to oseltamivir: a point of concern

Two novel antimicrobial defensins from rice identified by gene coexpression network analyses

Understanding of known drug-target interactions in the catalytic pocket of neuraminidase subtype N1.

Why amantadine loses its function in influenza m2 mutants: MD simulations

pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan: MD simulations