Institute of Molecular Function







   Last Modified

   23 February 2018

Theoretical Organic Chemistry Nuclear Receptor Chemistry Structural Bioinformatics Rational Drug Design

Research Abstract of Motonori Tsuji

Homology Modeling for HyperChem Logo Gaussian Interface for HyperChem Logo Full-Auto Interactive, Muti-layer ONIOM Interface Logo Docking Study with HyperChem Logo Mol Dimension Logo Virtual Screening System Technology AutoDock Vina In Silico Screenings Interface The Next-generation Drug Design Technology Drug Design Methodology for Organic Chemists HyperChem


Molecular Evolution Hypothesis

Motonori Tsuji, Synthesis and Biological Activity of Abscisic Acid Mimics. (Bachelor Thesis of Kyushu Kyoritsu University)

Motonori Tsuji, Synthesis and Plant Growth Regulation Activity of N-Acyl-L-Proline Derivatieves. (Master Thesis of Kyushu University)

Molecular Evolution Hypothesis

Nuclear Receptor Chemistry

Nuclear Receptor: Structural Biology

Origin of the Receptor Subtype Selectivity via Quantum Mechanics

Motonori Tsuji,* Koichi Shudo, Hiroyuki Kagechika. FEBS Open Bio. 2017, 7, 391-396, DOI: 10.1002/2211-5463.12188.

Origin of the receptor subtype selectivity via quantum mechanics


Origin of the Ligand Recognition Mechanism in the Nuclear Receptor Superfamily, Helix H3 Three-Point Initial-Binding Hypothesis

Motonori Tsuji. J. Mol. Graph. Model. 2015, 62, 262-275.

Helix H3 Three-Point Intial Binding Hypothesis

Holo-Form Formation SimulationLigand Entry to Nuclear Receptor


Folding Mechanism and Agonism and Atagonism Theory of the Ligand-binding Domain in the Nuclear Receptor Superfamily

Motonori Tsuji. J. Struct. biol. 2014, 185, 355-365.

The folding mechanism and the agonism and atagonism mechanism of the ligand-binding domain in the nuclear receptor superfamily


Nuclear Receptor: Molecular Mechanism

Origin of the agonism and antagonism mechanisms in the nuclear receptors via quantum mechanics.

Motonori Tsuji. J. Comput. Aided Mol. Des. 2017, 31, 577-585, DOI: 10.1007/s10822-017-0025-6.

Antagonist AF-2 Fixed Motif Perturbation Mechanism


A Proposed Molecular Mechanism for Nuclear Receptors

Motonori Tsuji,* Koichi Shudo, Hiroyuki Kagechika. J. Comput. Aided Mol. Des. 2015, 29, 975-988.

New Hypothesis for ATRA Mechanism

RXR-RAR Heterodimer


Nuclear Receptor: Structure-based Drug Design

Motonori Tsuji. Logical Drug Design for Organic Chemists (Japanese)

Design of Retinoid X Receptor Agonist

Motonori Tsuji. Design of Human Retinoid X Receptor Agonists

RXR-Selective Agonists


Motonori Tsuji. Design of Human Retinoid X Receptor Antagonists

RXR-Selective Antagonists


Application of Carboranes to Medicine

Motonori Tsuji. Carboranes Serves As Novel Hydrophobic Pharmacophore



Nuclear Receptor: Homology Modeling

Motonori Tsuji. Human Androgen Receptor DNA Binding Domain


Motonori Tsuji. Human Mineralocorticoid Receptor Ligand Binding Domain


Reaction Coordinate Analysis for Protein-Ligand Complex Formation

Motonori Tsuji. Ligand Recognition Mechanism of Human Cellular Retinoic Acid Receptor

Reaction Coordinate Analysis


Theoretical Organic Chemistry

Three-dimensional Benzene - Carborane - Electronic Structure Analysis

Experimental and theoretical studies on generation of novel three-dimensional phenyl cation, i.e., Carboranyl carbocation.

Motonori Tsuji., J. Org. Chem.2003, 68, 9589 - 9597.

Phenyl Cationp-Carboranyl Carbocation

LUMO21                                              LUMO37

Phenyl Cation                                        p-Carboranyl Carbocation


Electronic Structure of Cyclopropane

Experimental and theoretical studies on discovery of the most stable conformation of a cyclopropane ring.

Motonori Tsuji, J. Org. Chem.2004, 69, 4063 - 4074.

Most Stable Conformation of A Cyclopropane Ring


Unified Theory for Classical Steric Effects and Orbital Interactions

Experimental and theoretical studies on discovery of a principle for the facial stereoselectivity.

Motonori Tsuji, Asian J. Org. Chem.2015,4, 659-673.

Tsuji Model for Facial Stereoselectivity


Drug Discovery Technology

Structure-based Pharmacophore Prediction

PIEFII (Patent Rights)

Motonori Tsuji. Seitaikoubunnshi Niokeru Sougosayoubui No Yosokuhouhou, 2006, 2007-299125.


in silico Structure-based Drug Design System

Motonori Tsuji. Virtual Screening System

Motonori Tsuji. Docking Study with HyperChem

Motonori Tsuji. AutoDock Vina In Silico Screenings Interface

Motonori Tsuji. Homology Modeling Professional for HyperChem

Motonori Tsuji. ONIOM Interface for Receptor

Motonori Tsuji. Gaussian interface for HyperChem

In Silico Drug Design

In Silico Drug Design Platform 


Motonori Tsuji. Strategy for the Drug Discovery

MF Strategy for the Drug Discovery

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