List of works - Yaxia Yuan

Allosteric modulatory effects of SRI-20041 and SRI-30827 on cocaine and HIV-1 Tat protein binding to human dopamine transporter.

scientific article

Binding site detection and druggability prediction of protein targets for structure-based drug design

scientific article

Computational modeling of human dopamine transporter structures, mechanism and its interaction with HIV-1 transactivator of transcription.

scientific article published on 14 October 2016

De novo design of multitarget ligands with an iterative fragment-growing strategy

scientific article published on 18 March 2014

Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach

scientific article published in September 2009

Flipped Phenyl Ring Orientations of Dopamine Binding with Human and Drosophila Dopamine Transporters: Remarkable Role of Three Nonconserved Residues

scientific article published on 09 March 2018

HIV-1 transgenic rats display an increase in [(3)H]dopamine uptake in the prefrontal cortex and striatum.

scientific article published on 26 October 2015

Halogenated diarylacetylenes repress c-myc expression in cancer cells

scientific article

Improved Prediction of Blood-Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints

scientific article published on 21 March 2018

Influence of Sugar Amine Regiochemistry on Digitoxigenin Neoglycoside Anticancer Activity

scientific article

Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors

scientific article published in June 2006

LigBuilder 2: a practical de novo drug design approach

scientific article

Molecular mechanism of HIV-1 Tat interacting with human dopamine transporter

scientific article

Molecular mechanism: the human dopamine transporter histidine 547 regulates basal and HIV-1 Tat protein-inhibited dopamine transport

scientific article published on 14 December 2016

Mutations at tyrosine 88, lysine 92 and tyrosine 470 of human dopamine transporter result in an attenuation of HIV-1 Tat-induced inhibition of dopamine transport.

scientific article

Par-4 secretion: stoichiometry of 3-arylquinoline binding to vimentin.

scientific article

Protein-protein interface analysis and hot spots identification for chemical ligand design

scientific article

Role of Histidine 547 of Human Dopamine Transporter in Molecular Interaction with HIV-1 Tat and Dopamine Uptake

scientific article published on 02 June 2016

Selective inhibitors of human mPGES-1 from structure-based computational screening.

scientific article published on 29 June 2017

Structure-based discovery of mPGES-1 inhibitors suitable for preclinical testing in wild-type mice as a new generation of anti-inflammatory drugs.

scientific article published on 26 March 2018

The molecular basis of talin2's high affinity toward β1-integrin

scientific article published on 3 February 2017

Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of "hunger hormone" ghrelin.

scientific article published on 29 February 2016

List of works by Yaxia Yuan

Allosteric modulatory effects of SRI-20041 and SRI-30827 on cocaine and HIV-1 Tat protein binding to human dopamine transporter.

Binding site detection and druggability prediction of protein targets for structure-based drug design

Computational modeling of human dopamine transporter structures, mechanism and its interaction with HIV-1 transactivator of transcription.

De novo design of multitarget ligands with an iterative fragment-growing strategy

Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach

Flipped Phenyl Ring Orientations of Dopamine Binding with Human and Drosophila Dopamine Transporters: Remarkable Role of Three Nonconserved Residues

HIV-1 transgenic rats display an increase in [(3)H]dopamine uptake in the prefrontal cortex and striatum.

Halogenated diarylacetylenes repress c-myc expression in cancer cells

Improved Prediction of Blood-Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints

Influence of Sugar Amine Regiochemistry on Digitoxigenin Neoglycoside Anticancer Activity

Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors

LigBuilder 2: a practical de novo drug design approach

Molecular mechanism of HIV-1 Tat interacting with human dopamine transporter

Molecular mechanism: the human dopamine transporter histidine 547 regulates basal and HIV-1 Tat protein-inhibited dopamine transport

Mutations at tyrosine 88, lysine 92 and tyrosine 470 of human dopamine transporter result in an attenuation of HIV-1 Tat-induced inhibition of dopamine transport.

Par-4 secretion: stoichiometry of 3-arylquinoline binding to vimentin.

Protein-protein interface analysis and hot spots identification for chemical ligand design

Role of Histidine 547 of Human Dopamine Transporter in Molecular Interaction with HIV-1 Tat and Dopamine Uptake

Selective inhibitors of human mPGES-1 from structure-based computational screening.

Structure-based discovery of mPGES-1 inhibitors suitable for preclinical testing in wild-type mice as a new generation of anti-inflammatory drugs.

The molecular basis of talin2's high affinity toward β1-integrin

Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of "hunger hormone" ghrelin.