List of works - Haitao (mark) Ji

3D-QSAR and molecular docking studies on benzothiazole derivatives as Candida albicans N-myristoyltransferase inhibitors

scientific article published on 18 November 2006

A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors.

scientific article published on 09 December 2016

A method of active conformation search based on active and inactive analogues and its application to allylamine antimycotics

scientific article published on 01 October 1999

A three-dimensional model of lanosterol 14alpha-demethylase of Candida albicans and its interaction with azole antifungals

scientific article published in June 2000

Acid-Facilitated Debenzylation of N-Boc, N-Benzyl Double Protected 2-Aminopyridinomethylpyrrolidine Derivatives

scientific article

AlphaScreen selectivity assay for β-catenin/B-cell lymphoma 9 inhibitors.

scientific article published on 13 October 2014

Antenatal insults modify newborn olfactory function by nitric oxide produced from neuronal nitric oxide synthase ⬇️

scientific article published on July 24, 2012

Computer modeling of selective regions in the active site of nitric oxide synthases: implication for the design of isoform-selective inhibitors

scientific article

Construction of a three-dimensional pharmacophore for Bcl-2 inhibitors by flexible docking and the multiple copy simultaneous search method

scientific article published on 4 July 2007

Crystal Structures of Constitutive Nitric Oxide Synthases in Complex with De Novo Designed Inhibitors †

scientific article

Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase

scientific article

Design, synthesis and antifungal activity of isosteric analogues of benzoheterocyclic N-myristoyltransferase inhibitors

scientific article published on 12 March 2010

Design, synthesis, and antifungal activity of novel conformationally restricted triazole derivatives

scientific article published in December 2009

Direct α-heteroarylation of amides (α to nitrogen) and ethers through a benzaldehyde-mediated photoredox reaction.

scientific article

Discovery of Selective Small-Molecule Inhibitors for the β-Catenin/T-Cell Factor Protein-Protein Interaction through the Optimization of the Acyl Hydrazone Moiety.

scientific article published on 22 May 2015

Discovery of highly potent and selective inhibitors of neuronal nitric oxide synthase by fragment hopping.

scientific article published on February 2009

Discovery of highly potent novel antifungal azoles by structure-based rational design

scientific article published on 3 August 2009

Enantiomers of 4-amino-3-fluorobutanoic acid as substrates for gamma-aminobutyric acid aminotransferase. Conformational probes for GABA binding

scientific article published on 8 November 2007

Evolutionary trace analysis of CYP51 family: implication for site-directed mutagenesis and novel antifungal drug design

article

Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives

scientific article

High-Throughput Selectivity Assays for Small-Molecule Inhibitors of β-Catenin/T-Cell Factor Protein-Protein Interactions

scientific article

Homology modeling and molecular dynamics simulation of N-myristoyltransferase from protozoan parasites: active site characterization and insights into rational inhibitor design

scientific article published on 16 April 2009

Hot spot-based design of small-molecule inhibitors for protein-protein interactions.

scientific article published on 05 April 2014

Hydroxyl-terminated peptidomimetic inhibitors of neuronal nitric oxide synthase

scientific article published on 9 February 2006

Hypoxia-ischemia causes persistent movement deficits in a perinatal rabbit model of cerebral palsy: assessed by a new swim test

scientific article

Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase

scientific article

Improved model of lanosterol 14alpha-demethylase by ligand-supported homology modeling: validation by virtual screening and azole optimization

scientific article published in March 2010

Inhibition of β-catenin/B cell lymphoma 9 protein-protein interaction using α-helix-mimicking sulfono-γ-AApeptide inhibitors

scientific article published on 14 May 2019

Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase

scientific article

Involvement of Neuronal Nitric Oxide Synthase in Ongoing Fetal Brain Injury following Near-Term Rabbit Hypoxia-Ischemia ⬇️

scientific article published on July 8, 2011

L337H mutant of rat neuronal nitric oxide synthase resembles human neuronal nitric oxide synthase toward inhibitors.

scientific article published on July 2009

Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors

scientific article

Neuronal nitric oxide synthase inhibition prevents cerebral palsy following hypoxia-ischemia in fetal rabbits: comparison between JI-8 and 7-nitroindazole

scientific article published on 10 June 2011

New azoles with potent antifungal activity: design, synthesis and molecular docking.

scientific article

New homocamptothecins: synthesis, antitumor activity, and molecular modeling.

scientific article published on 22 October 2007

New homogeneous high-throughput assays for inhibitors of β-catenin/Tcf protein-protein interactions

scientific article published on 25 February 2012

Optimization of Peptidomimetics as Selective Inhibitors for the β-Catenin/T-Cell Factor Protein-Protein Interaction

scientific article published on 21 March 2019

Partial neuroprotection by nNOS inhibition during profound asphyxia in preterm fetal sheep.

scientific article published on 09 October 2013

Protocol for fragment hopping

scientific article published on January 2015

Rational design of selective small-molecule inhibitors for β-catenin/B-cell lymphoma 9 protein-protein interactions

scientific article published on 9 September 2015

Rational design of small-molecule inhibitors for β-catenin/T-cell factor protein-protein interactions by bioisostere replacement

scientific article

Rhodium(iii)-catalyzed C-H allylation of indoles with allyl alcohols via β-hydroxide elimination

scientific article published on 01 August 2018

Rhodium-Catalyzed [4 + 1] Cyclization via C-H Activation for the Synthesis of Divergent Heterocycles Bearing a Quaternary Carbon

scientific article published on 09 April 2018

Ruthenium(II)-Catalyzed Regio- and Stereoselective C-H Allylation of Indoles with Allyl Alcohols

scientific article published on 27 March 2018

Ruthenium-Catalyzed C-H Allylation of Alkenes with Allyl Alcohols via C-H Bond Activation in Aqueous Solution

scientific article published on 21 September 2018

Selective Monocationic Inhibitors of Neuronal Nitric Oxide Synthase. Binding Mode Insights from Molecular Dynamics Simulations

scientific article

Selective neuronal nitric oxide synthase inhibitors

scientific article

Structure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors

scientific article published on 28 March 2016

Structure-Based Optimization of Small-Molecule Inhibitors for the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction.

scientific article published on 22 March 2018

Structure-based de novo design, synthesis, and biological evaluation of non-azole inhibitors specific for lanosterol 14alpha-demethylase of fungi

scientific article

Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase

scientific article

Structure-based optimization of azole antifungal agents by CoMFA, CoMSIA, and molecular docking

scientific article published on 01 April 2006

Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives

scientific article published on 7 March 2010

Synthesis and antifungal activities of novel 2-aminotetralin derivatives

scientific article published on 28 September 2007

Synthesis and enzymatic evaluation of 2- and 4-aminothiazole-based inhibitors of neuronal nitric oxide synthase.

scientific article published on 04 June 2009

Targeting nitric oxide signaling with nNOS inhibitors as a novel strategy for the therapy and prevention of human melanoma.

scientific article published on 18 January 2013

Targeting the Side-Chain Convergence of Hydrophobic α-Helical Hot Spots To Design Small-Molecule Mimetics: Key Binding Features for i, i + 3, and i + 7

scientific article published on 22 October 2019

Targeting the Tcf4 G13ANDE17 binding site to selectively disrupt β-catenin/T-cell factor protein-protein interactions

scientific article published on 26 November 2013

The Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme–Inhibitor Interactions in Nitric Oxide Synthases

scientific article

Three-dimensional model of lanosterol 14 alpha-demethylase from Cryptococcus neoformans: active-site characterization and insights into azole binding

scientific article published on 26 May 2009

Unexpected Binding Modes of Nitric Oxide Synthase Inhibitors Effective in the Prevention of a Cerebral Palsy Phenotype in an Animal Model

scientific article

nNOS inhibition during profound asphyxia reduces seizure burden and improves survival of striatal phenotypic neurons in preterm fetal sheep

scientific article

List of works by Haitao (mark) Ji

3D-QSAR and molecular docking studies on benzothiazole derivatives as Candida albicans N-myristoyltransferase inhibitors

A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors.

A method of active conformation search based on active and inactive analogues and its application to allylamine antimycotics

A three-dimensional model of lanosterol 14alpha-demethylase of Candida albicans and its interaction with azole antifungals

Acid-Facilitated Debenzylation of N-Boc, N-Benzyl Double Protected 2-Aminopyridinomethylpyrrolidine Derivatives

AlphaScreen selectivity assay for β-catenin/B-cell lymphoma 9 inhibitors.

Antenatal insults modify newborn olfactory function by nitric oxide produced from neuronal nitric oxide synthase ⬇️

Computer modeling of selective regions in the active site of nitric oxide synthases: implication for the design of isoform-selective inhibitors

Construction of a three-dimensional pharmacophore for Bcl-2 inhibitors by flexible docking and the multiple copy simultaneous search method

Crystal Structures of Constitutive Nitric Oxide Synthases in Complex with De Novo Designed Inhibitors †

Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase

Design, synthesis and antifungal activity of isosteric analogues of benzoheterocyclic N-myristoyltransferase inhibitors

Design, synthesis, and antifungal activity of novel conformationally restricted triazole derivatives

Direct α-heteroarylation of amides (α to nitrogen) and ethers through a benzaldehyde-mediated photoredox reaction.

Discovery of Selective Small-Molecule Inhibitors for the β-Catenin/T-Cell Factor Protein-Protein Interaction through the Optimization of the Acyl Hydrazone Moiety.

Discovery of highly potent and selective inhibitors of neuronal nitric oxide synthase by fragment hopping.

Discovery of highly potent novel antifungal azoles by structure-based rational design

Enantiomers of 4-amino-3-fluorobutanoic acid as substrates for gamma-aminobutyric acid aminotransferase. Conformational probes for GABA binding

Evolutionary trace analysis of CYP51 family: implication for site-directed mutagenesis and novel antifungal drug design

Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives

High-Throughput Selectivity Assays for Small-Molecule Inhibitors of β-Catenin/T-Cell Factor Protein-Protein Interactions

Homology modeling and molecular dynamics simulation of N-myristoyltransferase from protozoan parasites: active site characterization and insights into rational inhibitor design

Hot spot-based design of small-molecule inhibitors for protein-protein interactions.

Hydroxyl-terminated peptidomimetic inhibitors of neuronal nitric oxide synthase

Hypoxia-ischemia causes persistent movement deficits in a perinatal rabbit model of cerebral palsy: assessed by a new swim test

Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase

Improved model of lanosterol 14alpha-demethylase by ligand-supported homology modeling: validation by virtual screening and azole optimization

Inhibition of β-catenin/B cell lymphoma 9 protein-protein interaction using α-helix-mimicking sulfono-γ-AApeptide inhibitors

Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase

Involvement of Neuronal Nitric Oxide Synthase in Ongoing Fetal Brain Injury following Near-Term Rabbit Hypoxia-Ischemia ⬇️

L337H mutant of rat neuronal nitric oxide synthase resembles human neuronal nitric oxide synthase toward inhibitors.

Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors

Neuronal nitric oxide synthase inhibition prevents cerebral palsy following hypoxia-ischemia in fetal rabbits: comparison between JI-8 and 7-nitroindazole

New azoles with potent antifungal activity: design, synthesis and molecular docking.

New homocamptothecins: synthesis, antitumor activity, and molecular modeling.

New homogeneous high-throughput assays for inhibitors of β-catenin/Tcf protein-protein interactions

Optimization of Peptidomimetics as Selective Inhibitors for the β-Catenin/T-Cell Factor Protein-Protein Interaction

Partial neuroprotection by nNOS inhibition during profound asphyxia in preterm fetal sheep.

Protocol for fragment hopping

Rational design of selective small-molecule inhibitors for β-catenin/B-cell lymphoma 9 protein-protein interactions

Rational design of small-molecule inhibitors for β-catenin/T-cell factor protein-protein interactions by bioisostere replacement

Rhodium(iii)-catalyzed C-H allylation of indoles with allyl alcohols via β-hydroxide elimination

Rhodium-Catalyzed [4 + 1] Cyclization via C-H Activation for the Synthesis of Divergent Heterocycles Bearing a Quaternary Carbon

Ruthenium(II)-Catalyzed Regio- and Stereoselective C-H Allylation of Indoles with Allyl Alcohols

Ruthenium-Catalyzed C-H Allylation of Alkenes with Allyl Alcohols via C-H Bond Activation in Aqueous Solution

Selective Monocationic Inhibitors of Neuronal Nitric Oxide Synthase. Binding Mode Insights from Molecular Dynamics Simulations

Selective neuronal nitric oxide synthase inhibitors

Structure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors

Structure-Based Optimization of Small-Molecule Inhibitors for the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction.

Structure-based de novo design, synthesis, and biological evaluation of non-azole inhibitors specific for lanosterol 14alpha-demethylase of fungi

Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase

Structure-based optimization of azole antifungal agents by CoMFA, CoMSIA, and molecular docking

Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives

Synthesis and antifungal activities of novel 2-aminotetralin derivatives

Synthesis and enzymatic evaluation of 2- and 4-aminothiazole-based inhibitors of neuronal nitric oxide synthase.

Targeting nitric oxide signaling with nNOS inhibitors as a novel strategy for the therapy and prevention of human melanoma.

Targeting the Side-Chain Convergence of Hydrophobic α-Helical Hot Spots To Design Small-Molecule Mimetics: Key Binding Features for i, i + 3, and i + 7

Targeting the Tcf4 G13ANDE17 binding site to selectively disrupt β-catenin/T-cell factor protein-protein interactions

The Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme–Inhibitor Interactions in Nitric Oxide Synthases

Three-dimensional model of lanosterol 14 alpha-demethylase from Cryptococcus neoformans: active-site characterization and insights into azole binding

Unexpected Binding Modes of Nitric Oxide Synthase Inhibitors Effective in the Prevention of a Cerebral Palsy Phenotype in an Animal Model

nNOS inhibition during profound asphyxia reduces seizure burden and improves survival of striatal phenotypic neurons in preterm fetal sheep