Faculty Information - HATA Masayuki

Faculty Information TOP

Educational Background

Research Field (Keyword)

Research Subject

Work experience /Academic appointments

Academic Awards

Membership of Professional Organizations

Publications

Invited Lectures

（Last updated : 2026-07-28 14:44:23）

HATA Masayuki
Department Matsuyama University School of Clinical Pharmacy, College of Pharmaceutical Sciences

Position Associate professor

Educational Background

2001/01/30
Degree Acquisition

Chiba University, Doctor of Philosophy in Pharmacy

Research Field (Keyword)

Pharmaceutical analytical chemistry and physicochemistry, Pharmaceutical chemistry and drug development sciences, Structural biochemistry (Key Word：Physical Chemistry)

Research Subject

1990/04～

Computational Research on Reaction Mechanism of Enzyme (Key Word : )

Work experience /Academic appointments

1.	1992/04～2001/03	Chiba University Faculty of Pharmaceutical Sciences Research Associate
2.	2001/04～2007/03	Chiba University Graduate School of Pharmaceutical Sciences Research Associate
3.	2007/04～	Matsuyama University College of Pharmaceutical Sciences Associate Professor

Academic Awards

2000/06

The Photopolymer Science and Technology Award

Membership of Professional Organizations

1.	1990/12～	The Pharmaceutical Society of Japan
2.	2006/05～	American Chemical Society
3.	2006/09～	Japan Society for Molecular Science
4.	2016/06～	The Chem-Bio Informatics Society

Publications

1.	2023/12	Article	In Silico Identification of Inhibitory Compounds for SARS-Cov-2 Papain-Like Protease Chem. Pharm. Bull. 71(12),pp.897-905 (Collaboration)
2.	2023/05	Article	Computational Screening of Inhibitory Compounds for SARS-Cov-2 3CL Protease with a Database Consisting of Approved and Investigational Chemicals Chem. Pharm. Bull. 71(5),pp.360-367 (Collaboration)
3.	2008/05	Article	An epoxidation mechanism of carbamazepine by CYP3A4. Bioorg. Med. Chem. pp.5134-5148 (Collaboration)
4.	2012/01	Article	Prediction of sites of metabolism in a substrate molecule, instanced by carbamazepine oxidation by CYP3A4 Bioorg. Med. Chem. pp.775-783 (Collaboration)
5.	2007/02	Article	Theoretical calculation of triazolam hydroxylation and endogenous steroid inhibition in the active site of CYP3A4. Biochim. Biophys. Acta, Proteins Proteomics pp.223-232 (Collaboration)
6.	2006/11	Article	Substrate Deacylation Mechanisms of Serine-$\beta$-lactamases. Biol. Pharm. Bull. pp.2151-2159 (Collaboration)
7.	2006/05	Article	Do Benzodiazepines Mimic Reverse-turn Structures? J. Comput.-Aided Mol. Des. pp.321-331 (Collaboration)
8.	2005/08	Article	A Theoretical Study on the Substrate Deacylation Mechanism of Class C $\beta$-Lactamase. J. Phys. Chem. B pp.16153-16160 (Collaboration)
9.	2001/07	Article	Monooxygenation Mechanism by Cytochrome P-450. J. Am. Chem. Soc. pp.6410-6416 (Collaboration)
10.	2010/01	Article	Structural and Energetic Analysis on the Complexes of Clinically Isolated Subtype C HIV-1 Proteases and Approved Inhibitors by Molecular Dynamics Simulation J. Phys. Chem. B pp.521-530 (Collaboration)
11.	2014/12	Other	The visual recognition of parasitic helminths in Japan before the introduction of parasitology from Germany-A preliminary note on the confirmation from Jomon Period onward 松山大学論集 26(5),pp.231-248 (Collaboration)
12.	2007/03	Article	Helices F-G Are Important for the Substrate Specificities of CYP3A7. Drug Metab. Dispos. pp.484-492 (Collaboration)
13.	2007/01	Article	Computational Characterization of Structural Role of the Non-active Site Mutation M36I of Human Immunodeficiency Virus Type 1 Protease. J. Mol. Biol. pp.598-607 (Collaboration)
14.	2007/01	Article	Implementation of pi-pi interactions in molecular dynamics simulation. J. Comput. Chem. pp.1091-1099 (Collaboration)
15.	2007/01	Article	Magnetic and Infrared Properties of the Azide Complex of (2,7,12,17-Tetrapropylporphycenato)iron(III): A Novel Admixing Mechanism of the S = 5/2 and S = 3/2 States. Eur. J. Inorg. Chem. pp.3188-3194 (Collaboration)
16.	2007/01	Article	Mechanism of Drug Resistance Due to N88S in CRF01_AE HIV-1 Protease, Analyzed by Molecular Dynamics Simulations. J. Med. Chem. pp.1768-1777 (Collaboration)
17.	2006/01	Article	Behavior of Water Molecules in ATPase Pocket of Myosin. J. Mol. Struct. (THEOCHEM) pp.97-105 (Collaboration)
18.	2006/01	Article	Computational Analysis of the Proton Translocation from Asp96 to Schiff base in Bacteriorhodopsin. J. Phys. Chem. B pp.22804-22812 (Collaboration)
19.	2006/01	Article	Computational Simulations of HIV-1 Proteases-Multi-drug Resistance Due to Nonactive Site Mutation L90M. J. Am. Chem. Soc. pp.7887-7895 (Collaboration)
20.	2006/01	Article	Significance of the Molecular Shape of Iron Corrphycene in a Protein Pocket. Inorg. Chem. pp.4238-4242 (Collaboration)
21.	2005/05	Article	Theoretical study on monooxygenation mechanism by cytochrome P450: an ultimate species in the substrate oxidation process. J. Mol. Struct. (THEOCHEM) pp.133-137 (Collaboration)
22.	2005/01	Article	Common Semiopen Conformations of Mg2+-free Ras, Rho, Rab, Arf, and Ran Proteins Combined with GDP and Their Similarity with GEF-bound Forms. J. Am. Chem. Soc. pp.15127-15137 (Collaboration)
23.	2005/01	Article	Computational analysis on the transient movement of helices in sensory rhodopsin II. Protein Sci. pp.183-192 (Collaboration)
24.	2005/01	Article	Control of Iron(III) Spin-State in the Model Complexes of Azide Hemoprotein by Porphycene, Corrphycene, and Hemiporphycene Macrocycles. Inorg. Chem. pp.1193-1195 (Collaboration)
25.	2005/01	Article	Estimation of Ligand Receptor Binding Affinity from Fluctuation of Their Interface. Jpn. J. Appl. Phys. pp.1370-1372 (Collaboration)
26.	2005/01	Article	Quantum Chemical Study on the Deacylation Step of Human Chymase. J. Mol. Struct. (THEOCHEM) pp.19-27 (Collaboration)
27.	2005/01	Article	Resistant Mechanism against Nelfinavir of Human Immunodeficiency Virus Type 1 Proteases. J. Phys. Chem. B pp.565-574 (Collaboration)
28.	2004/07	Article	Theoretical Study on Compound I Formation in Monooxygenation Mechanism by Cytochrome P450 J. Phys. Chem. B pp.11189-11195 (Collaboration)
29.	2004/01	Article	Adhesion Mechanism of Metal Impurities on Si Wafers in Alkali Solution. J. Electrochem. Soc. pp.590-597 (Collaboration)
30.	2004/01	Article	Convenient synthesis of porphine from $\beta$-tetra(tert-butyl)porphyrin. Tetrahedron Lett. pp.8629-8630 (Collaboration)
31.	2004/01	Article	Influence of Metallo Core Variation on 1-Methylimidazole Ligation to the Iron(III) in Porphyrin, Porphycene, Corrphycene, and Hemiporphycene. Chem. Lett. pp.114-115 (Collaboration)
32.	2004/01	Article	MD simulation of asymmetric phospholipid bilayers with ions and cholesterols. Chem-Bio Inform. J. pp.15-26 (Collaboration)
33.	2004/01	Article	Quantum Chemical Study on Base Excision Mechanism of 8-oxoguanine DNA Glycosylase: Substrate-Assisted Catalysis of the N-Glycosidic Linkage Cleavage Reaction. Chem-Bio Inform J. pp.73-92 (Collaboration)
34.	2003/12	Article	Direct Interaction between Substrates and Endogenous Steroids in the Active Site May Change the Activity of Cytochrome P450 3A4. Biochemistry pp.15068-15077 (Collaboration)
35.	2003/01	Article	Atomic-Scale Mechanism of the GTP->GDP Hydrolysis Reaction by the Gi$\alpha$1 Protein. J. Phys. Chem. B pp.3278-3283 (Collaboration)
36.	2003/01	Article	Diffusion of Molecular and Atomic Oxygen in Silicon Oxide. Jpn. J. Appl. Phys. pp.3560-3565 (Collaboration)
37.	2003/01	Article	Iron Hemiporphycene as a Functional Prosthetic Group for Myoglobin. Inorg. Chem. pp.1456-1561 (Collaboration)
38.	2003/01	Article	Molecular Dynamics Simulations of Prion Proteins - Effect of Ala117 -> Val mutation- . Chem-Bio Inform. J. pp.1-11 (Collaboration)
39.	2003/01	Article	Molecular Dynamics Study on Class A $\beta$-Lactamase: Hydrogen Bond Network among the Functional Groups of Penicillin G and Side Chains of the Conserved Residues in the Active Site. J. Phys. Chem. B pp.10274-10283 (Collaboration)
40.	2003/01	Article	Probability of Atomic or Molecular Oxygen Species in Silicon and Silicon Dioxide. Jpn. J. Appl. Phys. pp.6535-6542 (Collaboration)
41.	2003/01	Article	Unidirectional proton transfer mechanism in the L -> M -> N sequence of bacteriorhodopsin. J. Mol. Struct. (THEOCHEM) pp.125-133 (Collaboration)
42.	2002/01	Article	A factor to determine the direction of the proton transfer in bacteriorhodopsin. Chem-Bio Inform. J. pp.97-103 (Collaboration)
43.	2002/01	Article	A Study on the role of Mg2+ in a Ras protein by MD simulation. Chem-Bio Inform. J. pp.147-155 (Collaboration)
44.	2002/01	Article	Catalytic Mechanism of Class A $\beta$-Lactamase: Role of Lysine 73 and C3-Carboxyl Group of the Substrate Pen G in the Deacylation Step. J. Phys. Chem. B pp.9687-9695 (Collaboration)
45.	2002/01	Article	Computational Analysis of Stability of the $\beta$-Sheet Structure. J. Phys. Chem. B pp.9151-9158 (Collaboration)
46.	2002/01	Article	Computational Studies on Prion Proteins: Effect on Ala117 -> Val Mutation. Biophys. J. pp.2746-2757 (Collaboration)
47.	2002/01	Article	Quantum Chemical Study on the Catalytic Mechanism of the C-Subunit of cAMP-Dependent Protein Kinase. J. Phys. Chem. B pp.5788-5792 (Collaboration)
48.	2002/01	Article	Theoretical analysis of the stability of helices. J. Mol. Struct. (THEOCHEM) pp.413-422 (Collaboration)
49.	2001/09	Article	Origin of the Primary Kinetic Hydrogen Isotope Effects on N-dealkylation from N-alkylamine by hemoproteins. Bull. Chem. Soc. Jpn. pp.1577-1583 (Collaboration)
50.	2001/01	Article	Formation of Al Clusters Grown on the Hydrogenated Diamond Surfaces. Jpn. J. Appl. Phys. pp.276-280 (Collaboration)
51.	2001/01	Article	Migration of Si adatom on strained Si(111) surfaces. Surf. Sci. pp.205-214 (Collaboration)
52.	2001/01	Article	Molecular dynamics simulations of a complex of HIV-1 protease and substrate: substrate-dependent efficiency of catalytic activity. J. Mol. Struct. (THEOCHEM) pp.53-63 (Collaboration)
53.	2001/01	Article	Theoretical Analysis of Charge Confinement in Metal Micro-clusters. Jpn. J. Appl. Phys. pp.1906-1910 (Collaboration)
54.	2001/01	Article	Theoretical Studies of the ATP Hydrolysis mechanism of Myosin. Biophys. J. pp.2786-2794 (Collaboration)
55.	2000/10	Article	An ultimate species in the substrate oxidation process by cytochrome P-450. Chem. Commun. pp.2037-2038 (Collaboration)
56.	2000/04	Article	Catalytic Mechanism of Class A $\beta$-Lactamase. I. The Role of Glu166 and Ser130 in the Deacylation Reaction. Chem. Pharm. Bull. pp.447-453 (Collaboration)
57.	2000/01	Article	A Study on the Mechanism of the Proton Transport in Bacteriorhodopsin: The Importance of the Water Molecule. Biophys. J. pp.982-991 (Collaboration)
58.	2000/01	Article	Mechanism of O-O bond Cleavage and Transfer of an Oxygen Atom to a Substrate in Monooxygenation Reaction by Cytochrome P-450. JCPE J. pp.317-326 (Collaboration)
59.	2000/01	Article	Mechanism of phosphorylation of Ser residue catalyzed by cAMP-dependent protein kinase. JCPE J. pp.119-128 (Collaboration)
60.	2000/01	Article	Molecular Dynamics Study of HIV-1 Protease-Substrate Complex: Roles of the Water Molecules at the Loop Structure of the Active Site. J. Am. Chem. Soc. pp.5613-5622 (Collaboration)
61.	2000/01	Article	Oxidation process of an Al micro-cluster. Appl. Surf. Sci. pp.435-439 (Collaboration)
62.	2000/01	Article	Stable structures of Al micro-clusters and their characteristics for electric charging. Appl. Surf. Sci. pp.440-444 (Collaboration)
63.	2000/01	Article	The Importance of OH groups Containing in Solid Films for High Sensitivity of Chemically Amplified Resists. J. Photopolym. Sci. Technol. pp.503-506 (Collaboration)
64.	2000/01	Article	The Role of Heme in Monooxygenation Mechanism by Cytochrome P-450. JCPE J. pp.195-202 (Collaboration)
65.	1999/01	Book	Al Adatom Migration on the Partly H-Terminated Si(111) Surface. QDS'98 pp.487-490 (Collaboration)
66.	1999/01	Book	Formation of stable Al nanostructures on diamond (001) surfaces. Computational Modeling and Simulation of Materials, Techna Srl pp.439-446 (Collaboration)
67.	1999/01	Article	Ab Initio Study of the Role of Lysine 16 for the Molecular Switching Mechanism of Ras Protein p21. Biophys. J. pp.3287-3292 (Collaboration)
68.	1999/01	Article	Al Adatom Migration on the Partly H-Terminated Si(111) Surface. pp.487-490 (Collaboration)
69.	1999/01	Article	Hydrolysis Mechanism of the Phenylalanine-Proline Peptide Bond Specific to HIV-1 Protease: Investigation by the ab Initio Molecular Orbibal Method. J. Am. Chem. Soc. pp.7349-7354 (Collaboration)
70.	1999/01	Article	Migration of an Al adatom on the clean, H-terminated, or partly H-terminated diamond (001) surfaces. Phys. Rev. B pp.4810-4815 (Collaboration)
71.	1999/01	Article	Migration process of an Al adatom on the Si(111) surface. Surf. Sci. pp.117-126 (Collaboration)
72.	1999/01	Article	On the Origin of Photochemically Generated Protons in Polymethacrylate Films - A New Structure of PAG. J. Photopolym. Sci. Technol. pp.637-640 (Collaboration)
73.	1998/01	Article	Ab Initio Study of the Photochemical Decomposition Mechanism of Sulfonium Compounds, a Photoacid Generator. J. Phys. Chem. B pp.927-930 (Collaboration)
74.	1998/01	Article	Acid-Catalyzed Deprotection Mechanism of tert-Butyloxycarbonyloxy Polymers in Chemically Amplified Resists. J. Polym. Sci. Part A: Polym. Chem. pp.1035-1042 (Collaboration)
75.	1998/01	Article	Al adatom migration from the H-terminated to the bare area on Si(111) surfaces. Appl. Surf. Sci. pp.237-242 (Collaboration)
76.	1998/01	Article	Photochemical Proton Generation Mechanism in Poly-methacrylate Resist Films. J. Photopolym. Sci. Technol. pp.395-398 (Collaboration)
77.	1998/01	Article	SB step growth mechanism on the reconstructed(001) surfaces of diamond structure crystals. Appl. Surf. Sci. pp.689-693 (Collaboration)
78.	1998/01	Article	Stimulation of Cholesterol Release from Rabbit Foam Cells by the Action of a New Inhibitor for Acyl CoA:Cholesterol Acyltransferase (ACAT), HL-004. J. Phamacol. Exp. Ther. pp.115-121 (Collaboration)
79.	1997/01	Book	Step growth mechanism on (001) surfaces of diamond structure crystals. Advances in the Understanding of Crystal Growth Mechanisms (T. Nishinaga, K. Nishioka, J. Harada, A. Sasaki and H. Takei, Editors) pp.75-87 (Collaboration)
80.	1997/01	Article	Acid-Catalyzed Degradation Mechanism of Poly(phthalaldehyde): Unzipping Reaction of Chemical Amplification Resist. J. Polym. Sci.: Part A: Polym. Chem. pp.77-89 (Collaboration)
81.	1997/01	Article	Photochemical Proton Generation Mechanism from Sulfonium Trifrate in Novolac Resist Filems. J. Photopolym. Sci. and Technol. pp.485-488 (Collaboration)
82.	1997/01	Article	SA step growth mechanism on (001) surfaces of diamond structure crystals. J. Cryst. Growth pp.65-72 (Collaboration)
83.	1996/01	Article	ab initio Study of Photochemical Decomposition Mechanism of Triphenylsulfonium Salts for KrF Excimer Laser Exposure. J. Photopolym. Sci. and Technol. pp.587-590 (Collaboration)
84.	1996/01	Article	Adatom migration mechanism at SA steps on (001) surfaces of diamond structure crystals. Surf. Sci. pp.844-848 (Collaboration)
85.	1996/01	Article	Adatom migrations and nucleations on reconstructed (001) surfaces I. Si. Appl. Surf. Sci. pp.18-24 (Collaboration)
86.	1996/01	Article	Adatom migrations and nucleations on reconstructed (001) surfaces II. Diamond. Appl. Surf. Sci. pp.116-121 (Collaboration)
87.	1996/01	Article	Origin of buckling-dimer-row formation of Si(001) surfaces. Phys. Rev. B pp.11331-11339 (Collaboration)
88.	1996/01	Article	Proton Generation Mechanism from Trimethyl-Sulfonium Salts for E-Beam Exposure. J. Photopolym. Sci. and Technol. pp.693-696 (Collaboration)
89.	1995/01	Article	Chemically Amplified Resists VI. Photochemical Proton Generation Mechanism from 2-Oxocyclohexyl-cyclohexyl-methyl sulfonium Salts. J. Photopolym. Sci. and Technol. pp.611-614 (Collaboration)
90.	1995/01	Article	Chemically Amplified Resists VII. Proton Generation from Triphenyl Sulfonium Salts via Photochemical Isomerization Mechanism. J. Photopolym. Sci. and Technol. pp.653-656 (Collaboration)
91.	1994/01	Book	Proton Generation Mechanism from Triphenylsulfonium Salts for KrF Excimer Laser. Proceedings 10th International Conference Photopolymers (W. Brunsvold, Editor) pp.262-275 (Collaboration)
92.	1994/01	Article	Chemically Amplified Resists V. Photochemical Proton Generation Mechanism from Triphenylsulfonium Salts. J. Photopolym. Sci. and Technol. pp.483-486 (Collaboration)
93.	1994/01	Article	Nucleation Mechanism on Diamond(001) Surfaces in Gas Phase Epitaxial Growth. Proceedings of the 7th Symposium on Plasma Science for Materials, Jun. 16-17, Tokyo pp.101-111 (Collaboration)
94.	1994/01	Article	SB Step Growth Mechanism on the Reconstructed (001) Surface: Cluster Migrations at the Growing Edge. Appl. Surf. Sci. pp.21-26 (Collaboration)
95.	1994/01	Article	Surface Migration Enhancement of Adatoms in the Photoexcited Process on Reconstructed Diamond(001) Surfaces. Appl. Surf. Sci. pp.255-263 (Collaboration)
96.	1993/01	Article	Chemically Amplified Resists IV. Proton-Catalyzed Degradation Mechanism of Poly(phthalaldehyde). J. Photopolym. Sci. and Technol. pp.491-494 (Collaboration)
97.	1992/01	Article	Mechanism of the Step Growth of Diamond Crystals with Carbon Atoms I. Epitaxial Growth of (001) Surfaces in the Lowest Singlet State with Carbon Atoms. pp.1482-1489 (Collaboration)
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Invited Lectures

2004/05

Mechanism of Drug Metabolism by CYP3A4: Epoxidation of Carbamazepine (Tokyo, Japan)