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1.
Computational Estimation of Residues Involving Resistance to the SARS-CoV-2 Main Protease Inhibitor Ensitrelvir Based on Virtual Alanine Scan of the Active Site.
Biol Pharm Bull
; 47(5): 967-977, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38763751
2.
Structural Impact Assessment of Cytochrome P450 2A13 Polymorphisms Using Molecular Dynamics Simulations.
Biol Pharm Bull
; 47(3): 620-628, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38479886
3.
Identification of the Most Impactful Asparagine Residues for γS-Crystallin Aggregation by Deamidation.
Biochemistry
; 62(11): 1679-1688, 2023 06 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-37155656
4.
Functional Characterization of 12 Dihydropyrimidinase Allelic Variants in Japanese Individuals for the Prediction of 5-Fluorouracil Treatment-Related Toxicity.
Drug Metab Dispos
; 51(2): 165-173, 2023 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-36414408
5.
Functional Characterization of 29 Cytochrome P450 4F2 Variants Identified in a Population of 8380 Japanese Subjects and Assessment of Arachidonic Acid ω-Hydroxylation.
Drug Metab Dispos
; 51(12): 1561-1568, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-37775333
6.
Functional Characterization of 40 CYP3A4 Variants by Assessing Midazolam 1'-Hydroxylation and Testosterone 6ß-Hydroxylation.
Drug Metab Dispos
; 49(3): 212-220, 2021 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33384383
7.
(S)-Erypoegin K, an isoflavone isolated from Erythrina poeppigiana, is a novel inhibitor of topoisomerase IIα: Induction of G2 phase arrest in human gastric cancer cells.
Bioorg Med Chem
; 30: 115904, 2021 01 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-33341500
8.
Theoretical Studies on the Effect of Isomerized Aspartic Acid Residues on the Three-Dimensional Structures of Bovine Pancreatic Ribonucleases A.
Biol Pharm Bull
; 44(7): 967-975, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34193692
9.
Virtual Alanine Scan of the Main Protease Active Site in Severe Acute Respiratory Syndrome Coronavirus 2.
Int J Mol Sci
; 22(18)2021 Sep 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34576002
10.
Molecular Mechanisms of Succinimide Formation from Aspartic Acid Residues Catalyzed by Two Water Molecules in the Aqueous Phase.
Int J Mol Sci
; 22(2)2021 Jan 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33419172
11.
Deciphering Structural Alterations Associated with Activity Reductions of Genetic Polymorphisms in Cytochrome P450 2A6 Using Molecular Dynamics Simulations.
Int J Mol Sci
; 22(18)2021 Sep 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-34576282
12.
Development of Force Field Parameters for p-Carborane to Investigate the Structural Influence of Carborane Derivatives on Drug Targets by Complex Formation.
Biol Pharm Bull
; 43(12): 1931-1939, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-33268711
13.
Mechanisms of Deamidation of Asparagine Residues and Effects of Main-Chain Conformation on Activation Energy.
Int J Mol Sci
; 21(19)2020 Sep 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-32987875
14.
ER subtype selectivity of m-carborane-containing phenols: C-alkyl groups on the m-carborane cage enhance ERα selectivity.
Bioorg Med Chem Lett
; 29(16): 2290-2293, 2019 08 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-31248773
15.
Computational Studies on Water-Catalyzed Mechanisms for Stereoinversion of Glutarimide Intermediates Formed from Glutamic Acid Residues in Aqueous Phase.
Int J Mol Sci
; 20(10)2019 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-31096657
16.
Antiproliferative Aspidosperma-Type Monoterpenoid Indole Alkaloids from Bousigonia mekongensis Inhibit Tubulin Polymerization.
Molecules
; 24(7)2019 Mar 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-30935100
17.
Influences of conformations of peptides on stereoinversions and/or isomerizations of aspartic acid residues.
Biochim Biophys Acta Proteins Proteom
; 1866(7): 783-788, 2018 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-29331333
18.
Comparison of the activation energy barrier for succinimide formation from α- and ß-aspartic acid residues obtained from density functional theory calculations.
Biochim Biophys Acta Proteins Proteom
; 1866(7): 759-766, 2018 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-29305913
19.
Triazine-Based Cationic Leaving Group: Synergistic Driving Forces for Rapid Formation of Carbocation Species.
J Org Chem
; 83(8): 4568-4580, 2018 04 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-29616811
20.
Novel androgen receptor full antagonists: Design, synthesis, and a docking study of glycerol and aminoglycerol derivatives that contain p-carborane cages.
Bioorg Med Chem
; 26(13): 3805-3811, 2018 07 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-29903411