I. Nakanishi

发表

Molecular recognition mechanism of FK506 binding protein: An all‐electron fragment molecular orbital study

Kazuo Kitaura, Dmitri G Fedorov, K. Kitaura, 2007, Proteins.

The use of many-body expansions and geometry optimizations in fragment-based methods.

K. Kitaura, D. Fedorov, I. Nakanishi, 2014, Accounts of chemical research.

Cl–π interactions in protein–ligand complexes

K. Kitaura, I. Nakanishi, Y. Inoue, 2008, Protein science : a publication of the Protein Society.

Synthesis and Functional Characterization of Novel Sialyl LewisX Mimic-Decorated Liposomes for E-selectin-Mediated Targeting to Inflamed Endothelial Cells.

S. Kawakami, M. Hashida, F. Yamashita, 2017, Molecular pharmaceutics.

Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening.

K. Kitaura, G. Tsujimoto, T. Kinoshita, 2015, European journal of medicinal chemistry.

Binding affinity prediction of non-peptide inhibitors of HIV-1 protease using COMBINE model introduced from peptide inhibitors.

K. Kitaura, I. Nakanishi, Shinya Nakamura, 2006, Bioorganic & medicinal chemistry letters.

Structural basis of compound recognition by adenosine deaminase.

T. Kinoshita, T. Fujii, Tsuyoshi Inoue, 2005, Biochemistry.

Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.

I. Nakanishi, Tatsuo Akaki, T. Iwanaga, 2021, Bioorganic & medicinal chemistry.

A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase

K. Kitaura, G. Tsujimoto, H. Fukada, 2011, Molecular and Cellular Biochemistry.

An Interaction-based Approach for Affinity Prediction between Antigen Peptide and Human Leukocyte Antigen Using COMBINE Analysis

I. Nakanishi, Shinya Nakamura, Rie Ohmura, 2017 .

Diversity-oriented synthesis of pyrazolo[4,3-b]indoles by gold-catalysed three-component annulation: application to the development of a new class of CK2 inhibitors.

G. Tsujimoto, N. Fujii, H. Ohno, 2013, Organic & biomolecular chemistry.

Structural insights for producing CK2α1-specific inhibitors.

T. Kinoshita, A. Hirasawa, I. Nakanishi, 2019, Bioorganic & medicinal chemistry letters.

Structure of bovine adenosine deaminase complexed with 6-hydroxy-1,6-dihydropurine riboside.

T. Kinoshita, T. Fujii, I. Nakanishi, 2003, Acta crystallographica. Section D, Biological crystallography.

Conformational change of adenosine deaminase during ligand-exchange in a crystal.

T. Kinoshita, I. Nakanishi, T. Tada, 2008, Biochemical and biophysical research communications.

Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors.

T. Kinoshita, Tadashi Terasaka, Katsuya Nakamura, 2003, Bioorganic & medicinal chemistry letters.

Optimization of diaryl amine derivatives as kinesin spindle protein inhibitors.

A. Asai, J. Sawada, N. Fujii, 2014, Bioorganic & medicinal chemistry.

Anti-inflammatory activity of non-nucleoside adenosine deaminase inhibitor FR234938.

T. Kinoshita, T. Fujii, Tadashi Terasaka, 2006, European journal of pharmacology.

Role of the side chain stereochemistry in the α-glucosidase inhibitory activity of kotalanol, a potent natural α-glucosidase inhibitor. Part 2.

I. Nakanishi, Xiao-ming Wu, M. Yoshikawa, 2012, Bioorganic & medicinal chemistry.

Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2α1-selective inhibitors.

Daisuke Kitagawa, M. Sawa, T. Kinoshita, 2022, Biochemical and biophysical research communications.

In silico design, synthesis and evaluation of 3'-O-benzylated analogs of salacinol, a potent α-glucosidase inhibitor isolated from an Ayurvedic traditional medicine "Salacia".

I. Nakanishi, T. Morikawa, M. Yoshikawa, 2012, Chemical communications.

Docking and SAR studies of salacinol derivatives as alpha-glucosidase inhibitors.

I. Nakanishi, T. Morikawa, M. Yoshikawa, 2010, Bioorganic & medicinal chemistry letters.

Synthesis of jaspine B regioisomers through palladium-catalyzed stereoselective tetrahydrofuran formation: Insight into the ligand recognition of sphingosine kinases

N. Fujii, H. Ohno, I. Nakanishi, 2018 .

Identification of selective inhibitors of sphingosine kinases 1 and 2 through a structure-activity relationship study of 4-epi-jaspine B.

N. Fujii, H. Ohno, I. Nakanishi, 2017, Bioorganic & medicinal chemistry.

Hydrophobic substituents increase the potency of salacinol, a potent α-glucosidase inhibitor from Ayurvedic traditional medicine 'Salacia'.

I. Nakanishi, T. Morikawa, Shinya Nakamura, 2016, Bioorganic & medicinal chemistry.

Asymmetric synthesis of FR165914: A novel β3-adrenergic agonist with a benzocycloheptene structure

T. Kinoshita, I. Nakanishi, K. Hattori, 1995 .

Structure of human protein kinase CK2 alpha 2 with a potent indazole-derivative inhibitor.

K. Kitaura, G. Tsujimoto, T. Kinoshita, 2009, Acta crystallographica. Section F, Structural biology and crystallization communications.

Homology Modeling of Human Alpha-Glucosidase Catalytic Domains and SAR Study of Salacinol Derivatives

I. Nakanishi, Shinya Nakamura, G. Tanabe, 2012 .

Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors.

T. Kinoshita, Tadashi Terasaka, Takeshi Inoue, 2004, Journal of medicinal chemistry.

Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors.

T. Kinoshita, N. Fujii, H. Ohno, 2016, Bioorganic & medicinal chemistry.

The crystal and molecular structure of the β-cyclodextrin inclusion complex with aspirin and salicylic acid

I. Nakanishi, T. Fujiwara, K. Tomita, 1984 .

Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds.

Kazuo Kitaura, Shinya Oishi, Gozoh Tsujimoto, 2012, Journal of medicinal chemistry.

Studies on cerebral protective agents. IX. Synthesis of novel 1,2,3,4-tetrahydroisoquinolines as N-methyl-D-aspartate antagonists.

T. Kinoshita, I. Nakanishi, A. Kuno, 1996, Chemical & pharmaceutical bulletin.

Design and synthesis of a novel class of CK2 inhibitors: application of copper- and gold-catalysed cascade reactions for fused nitrogen heterocycles.

G. Tsujimoto, N. Fujii, H. Ohno, 2012, Organic & biomolecular chemistry.

Syntheses and X-ray structures of mixed benzenethiolato-sulfido and -selenido trinuclear nickel clusters

Keiji Matsumoto, H. Nakano, I. Nakanishi, 1996 .

True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor.

T. Kinoshita, I. Nakanishi, T. Tada, 2003, Bioorganic & medicinal chemistry letters.

Studies on cerebral protective agents. VIII. Synthesis of 2-aminothiazoles and 2-thiazolecarboxamides with anti-anoxic activity.

I. Nakanishi, A. Kuno, M. Ohkubo, 1995, Chemical & pharmaceutical bulletin.

Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 Å resolution

T. Kinoshita, I. Nakanishi, T. Tada, 2000, Biopolymers.

New reagents for controlled release of nitric oxide. Structure-stability relationships

I. Nakanishi, H. Takasugi, Masayuki Kato, 1996 .

Elongation of the side chain by linear alkyl groups increases the potency of salacinol, a potent α-glucosidase inhibitor from the Ayurvedic traditional medicine "Salacia," against human intestinal maltase.

I. Nakanishi, T. Morikawa, Shinya Nakamura, 2020, Bioorganic & medicinal chemistry letters.

Ligand compatibility of salacinol-type α-glucosidase inhibitors toward the GH31 family

I. Nakanishi, T. Morikawa, Shinya Nakamura, 2021, RSC advances.

Amide–π interactions between formamide and benzene

Isao Nakanishi, Yumi N. Imai, Yoshihisa Inoue, 2009, J. Comput. Chem..

A new chemosensor for cyanide in blood based on the Pd complex of 2-(5-bromo-2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol.

I. Nakanishi, Shigeo Suzuki, K. Nishiwaki, 2020, The Analyst.

Structure of β-cyclodextrin-phenobarbital complex

I. Nakanishi, T. Fujiwara, K. Tomita, 1984 .

Novel turn-on fluorescent sensor for cyanide ion based on the charge transfer transition of phenothiazine/indolium compounds

I. Nakanishi, K. Nishiwaki, Yasuhiro Morikawa, 2021, Materials Advances.

Detailed Electronic Structure Studies Revealing the Nature of Protein–Ligand Binding

K. Kitaura, D. Fedorov, I. Nakanishi, 2009 .

Molecular Structure and Mutual Recognition Between Host and Guest Molecules Found in the Crystal Structures of Oxacalix[4]arenes Complexed with Xylene Isomers

I. Nakanishi, K. Tomita, Kenji. Suzuki, 2000 .

X-ray structural studies on two forms of β-cyclodextrin barbital complexes

I. Nakanishi, T. Fujiwara, K. Tomita, 1984 .

Computational Study on the Comparative Differences in the Activity of Inhibitors of Human versus Rat Alpha-Glucosidase

I. Nakanishi, Shinya Nakamura, G. Tanabe, 2017 .

Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.

K. Kitaura, G. Tsujimoto, T. Kinoshita, 2009, Bioorganic & medicinal chemistry letters.

The Computational Studies on the Conformation-Stabilizing Factors of the Left-Handed Z-DNA

I. Nakanishi, K. Tomita, H. Ohishi, 1999 .

Crystal Structure of a Left-Handed Z-DNA Hexamer, d(CG)3, Duplex Complexed with Synthetic Polyamine Reveals Binding of a Polyamine in the Minor Groove

A. Rich, T. Hakoshima, I. Nakanishi, 1999 .

Comparison of a left-handed Z-DNA molecular structure determined by X-rays with that simulated by a molecular dynamics.

I. Nakanishi, K. Tomita, H. Ohishi, 1997, Biochemical and biophysical research communications.

Interaction between left‐handed Z‐DNA and polyamine — 3 The crystal structure of the d(CG)3 and thermospermine complex

I. Nakanishi, K. Tomita, H. Ohishi, 1996, FEBS letters.

A 7-dimethylallyl tryptophan synthase from a fungal Neosartorya sp.: biochemical characterization and structural insight into the regioselective prenylation.

I. Nakanishi, H. Kakeya, Shinya Nakamura, 2014, Bioorganic & medicinal chemistry.

Synthesis of the water-soluble adenosine A1 receptor antagonist FR166124 through a novel sequential Horner-Emmons / isomerization reaction

T. Kinoshita, I. Nakanishi, K. Durkin, 1999 .

Design, synthesis, and evaluation of fibrinogen inhibitors, ω-(p-amidinophenoxy) alkanoylaspartic acid derivatives

I. Nakanishi, T. Aoki, A. Tanaka, 1996 .

The Trial of Drug Discovery using the In-Silico Screening Methods Developed by Pharmaceutical Innovation Value Chain

Y. Fukunishi, Haruki Nakamura, Y. Okuno, 2010 .

Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism.

Yasuko Kato, Takayoshi Kinoshita, T. Kinoshita, 2005, Journal of medicinal chemistry.

Structure-Activity Relationships and Docking Studies of Hydroxychavicol and Its Analogs as Xanthine Oxidase Inhibitors.

I. Nakanishi, Shinya Nakamura, K. Nishiwaki, 2018, Chemical & pharmaceutical bulletin.

Precise Probing of Residue Roles by NRPS Code Swapping: Mutation, Enzymatic Characterization, Modeling, and Substrate Promiscuity of Aryl Acid Adenylation Domains.

I. Nakanishi, Shinya Nakamura, G. Tanabe, 2020, Biochemistry.

Subtle Structural Changes in Tetrahydroquinolines, A New Class of Nonsteroidal Selective Androgen Receptor Modulators, Induce Different Functions

Isao Nakanishi, Kentaro Kawai, Naoya Nagata, 2012, J. Chem. Inf. Model..

Inhibitor‐induced structural change of the active site of human poly(ADP‐ribose) polymerase

Takayoshi Kinoshita, Yoshiyuki Kido, A. Iwashita, 2004, FEBS letters.

Binding Free Energy Calculations of Adenosine Deaminase Inhibitor and the Effect of Methyl Substitution in Inhibitors

Isao Nakanishi, Kazuo Kitaura, Takahiro Kosugi, 2009, J. Chem. Inf. Model..

An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital Method.

Kenneth M Merz, Kazuo Kitaura, Dmitri G Fedorov, 2012, The journal of physical chemistry letters.

1H-NMR determination of the solution structure and absolute configuration of FR134043, a novel inhibitor of human leukocyte elastase.

I. Nakanishi, K. Imai, A. Sato, 2000, The journal of peptide research : official journal of the American Peptide Society.

Kinesin spindle protein inhibitors with diaryl amine scaffolds: crystal packing analysis for improved aqueous solubility.

Shinya Oishi, Shinya Nakamura, Tomoki Takeuchi, 2014, ACS medicinal chemistry letters.

A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization.

Takayoshi Kinoshita, T. Kinoshita, Tadashi Terasaka, 2004, Journal of the American Chemical Society.

Molecular structure of FR901277, a novel inhibitor of human leukocyte elastase, and its binding mode simulation.

T. Kinoshita, H. Hatanaka, I. Nakanishi, 1999, Bioorganic & medicinal chemistry letters.

Crystal structure of human CK2α at 1.06 Å resolution

T. Kinoshita, I. Nakanishi, Shinya Nakamura, 2013, Journal of synchrotron radiation.

A novel and useful descriptor for hydrophobicity, partition coefficient micellar-water, and its application to a QSAR study of antiplatelet agents.

I. Nakanishi, K. Nakamura, K Nakamura, 1994, Journal of medicinal chemistry.

Crystal structure of CK2a1 with 5-iodotubercidin

M. Sawa, T. Kinoshita, I. Nakanishi, 2019 .

SDOVS: A solvent dipole ordering‐based method for virtual screening

Isao Nakanishi, Kazuo Kitaura, Katsumi Murata, 2010, J. Comput. Chem..

New Reagents for Controlled Release of Nitric Oxide. Structure‐ Stability Relationships.

I. Nakanishi, H. Takasugi, Masayuki Kato, 1996 .

Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein

Isao Nakanishi, Kazuo Kitaura, Katsumi Murata, 2009, J. Comput. Chem..

A promiscuous kinase inhibitor delineates the conspicuous structural features of protein kinase CK2a1.

M. Sawa, T. Kinoshita, I. Nakanishi, 2019, Acta crystallographica. Section F, Structural biology communications.

Diversity-oriented synthesis of pyrazolo[4,3-b]indoles by gold-catalysed three-component annulation: application to the development of a new class of CK2 inhibitors.

G. Tsujimoto, N. Fujii, H. Ohno, 2013, Organic & biomolecular chemistry.

In silico design, synthesis and evaluation of 3'-O-benzylated analogs of salacinol, a potent α-glucosidase inhibitor isolated from an Ayurvedic traditional medicine "Salacia".

I. Nakanishi, T. Morikawa, M. Yoshikawa, 2012, Chemical communications.