List of works - Noriyuki Yamaotsu

3D-Pharmacophore Identification for κ-Opioid Agonists Using Ligand-Based Drug-Design Techniques ⬇️

scientific article published on January 1, 2011

AMF-26, a novel inhibitor of the Golgi system, targeting ADP-ribosylation factor 1 (Arf1) with potential for cancer therapy.

scientific article

Brazilian propolis-derived components inhibit TNF-α-mediated downregulation of adiponectin expression via different mechanisms in 3T3-L1 adipocytes

scientific article

Brownian dynamics simulations of a wild type and mutants of bovine pancreatic trypsin inhibitors

scientific article published in December 2008

Design of a New α-1--Alkyl-DAB Derivative Acting as a Pharmacological Chaperone for β-Glucocerebrosidase Using Ligand Docking and Molecular Dynamics Simulation

scientific article published on 18 October 2018

Determination of ligand-binding sites on proteins using long-range hydrophobic potential.

scientific article published in August 2008

Differential effects of methoxy group on the interaction of curcuminoids with two major ligand binding sites of human serum albumin

scientific article (publication date: 2014)

Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology

scientific article published on 13 November 2009

Essential structure of opioid κ receptor agonist nalfurafine for binding to κ receptor 1: synthesis of decahydroisoquinoline derivatives and their pharmacologies

scientific article

Estimation of stabilities of staphylococcal nuclease mutants (Met32-->Ala and Met32-->Leu) using molecular dynamics/free energy perturbation

scientific article published on 01 December 1993

Evaluation of influence of single nucleotide polymorphisms in cytochrome P450 2B6 on substrate recognition using computational docking and molecular dynamics simulation

scientific article (publication date: 2014)

Evaluation of the searching abilities of HBOP and HBSITE for binding pocket detection

scientific article published in December 2009

Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists

scientific article published on 28 April 2010

In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery

scientific article published on 08 September 2018

In silico multi-filter screening approaches for developing novel beta-secretase inhibitors.

scientific article published on 10 April 2008

In silico study on the inhibitory interaction of drugs with wild-type CYP2D6.1 and the natural variant CYP2D6.17.

scientific article

Molecular dynamics simulation of the calmodulin-trifluoperazine complex in aqueous solution

scientific article published on 01 April 2001

Molecular dynamics study of the stability of staphylococcal nuclease mutants: component analysis of the free energy difference of denaturation

scientific article published on 01 April 1993

NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin ⬇️

scientific article published on August 15, 2010

New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models.

scientific article published in June 2005

Quantitative structure-activity relationship (QSAR) analysis to predict drug-drug interactions of ABC transporter ABCG2.

scientific article

Studies of binding modes of (S)-mephenytoin to wild types and mutants of cytochrome P450 2C19 and 2C9 using homology modeling and computational docking

scientific article published in December 2004

Three-dimensional quantitative structure-activity relationship analysis of inhibitors of human and rat cytochrome P4503A enzymes

scientific article published on 29 January 2013

Use of photoaffinity labeling and site-directed mutagenesis for identification of the key residue responsible for extraordinarily high affinity binding of UCN-01 in human alpha1-acid glycoprotein.

scientific article published on 27 October 2004

Validation of molecular force field parameters for peptides including isomerized amino acids

scientific article published on 2 February 2018

List of works by Noriyuki Yamaotsu

3D-Pharmacophore Identification for κ-Opioid Agonists Using Ligand-Based Drug-Design Techniques ⬇️

AMF-26, a novel inhibitor of the Golgi system, targeting ADP-ribosylation factor 1 (Arf1) with potential for cancer therapy.

Brazilian propolis-derived components inhibit TNF-α-mediated downregulation of adiponectin expression via different mechanisms in 3T3-L1 adipocytes

Brownian dynamics simulations of a wild type and mutants of bovine pancreatic trypsin inhibitors

Design of a New α-1--Alkyl-DAB Derivative Acting as a Pharmacological Chaperone for β-Glucocerebrosidase Using Ligand Docking and Molecular Dynamics Simulation

Determination of ligand-binding sites on proteins using long-range hydrophobic potential.

Differential effects of methoxy group on the interaction of curcuminoids with two major ligand binding sites of human serum albumin

Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology

Essential structure of opioid κ receptor agonist nalfurafine for binding to κ receptor 1: synthesis of decahydroisoquinoline derivatives and their pharmacologies

Estimation of stabilities of staphylococcal nuclease mutants (Met32-->Ala and Met32-->Leu) using molecular dynamics/free energy perturbation

Evaluation of influence of single nucleotide polymorphisms in cytochrome P450 2B6 on substrate recognition using computational docking and molecular dynamics simulation

Evaluation of the searching abilities of HBOP and HBSITE for binding pocket detection

Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists

In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery

In silico multi-filter screening approaches for developing novel beta-secretase inhibitors.

In silico study on the inhibitory interaction of drugs with wild-type CYP2D6.1 and the natural variant CYP2D6.17.

Molecular dynamics simulation of the calmodulin-trifluoperazine complex in aqueous solution

Molecular dynamics study of the stability of staphylococcal nuclease mutants: component analysis of the free energy difference of denaturation

NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin ⬇️

New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models.

Quantitative structure-activity relationship (QSAR) analysis to predict drug-drug interactions of ABC transporter ABCG2.

Studies of binding modes of (S)-mephenytoin to wild types and mutants of cytochrome P450 2C19 and 2C9 using homology modeling and computational docking

Three-dimensional quantitative structure-activity relationship analysis of inhibitors of human and rat cytochrome P4503A enzymes

Use of photoaffinity labeling and site-directed mutagenesis for identification of the key residue responsible for extraordinarily high affinity binding of UCN-01 in human alpha1-acid glycoprotein.

Validation of molecular force field parameters for peptides including isomerized amino acids