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Comparative Binding Analysis of Dipeptidyl Peptidase IV (DPP-4) with Antidiabetic Drugs – An Ab Initio Fragment Molecular Orbital Study
2016
PLoS ONE
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Dipeptidyl peptidase IV (DPP-4) enzyme is responsible for the degradation of incretins that stimulates insulin secretion and hence inhibition of DPP-4 becomes an established approach for the treatment of type 2 diabetics. We studied the interaction between DPP-4 and its inhibitor drugs (sitagliptin 1, linagliptin 2, alogliptin 3, and teneligliptin 4) quantitatively by using fragment molecular orbital calculations at the RI-MP2/cc-pVDZ level to analyze the inhibitory activities of the drugs.
doi:10.1371/journal.pone.0166275
pmid:27832184
pmcid:PMC5104442
fatcat:gb2o5cslgzaeto5tehkk6wo3pu
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... t from having common interactions with key residues, inhibitors encompassing the DPP-4 active site extensively interact widely with the hydrophobic pocket by their hydrophobic inhibitor moieties. The cumulative hydrophobic interaction becomes stronger for these inhibitors and hence linagliptin and teneligliptin have larger interaction energies, and consequently higher inhibitory activities, than their alogliptin and sitagliptin counterparts. Though effective interaction for both 2 and 3 is at S 0 2 subsite, 2 has a stronger binding to this subsite interacting with Trp629 and Tyr547 than 3 does. The presence of triazolopiperazine and piperazine moiety in 1 and 4, respectively, provides the interaction to the S 2 extensive subsite; however, the latter's superior inhibitory activity is not only due to a relatively tighter binding to the S 2 extensive subsite, but also due to the interactions to the S 1 subsite. The calculated hydrophobic interfragment interaction energies correlate well with the experimental binding affinities (K D ) and inhibitory activities (IC 50 ) of the DPP-4 inhibitors. Fig 4. Interfragment interaction energy (IFIE) between amino acid residues at the active site of DPP-4 and the inhibitors [(a) sitagliptin 1, (b) linagliptin 2, (c) alogliptin 3, (d) teneligliptin 4]. The electrostatic (gray) and van der Waals (black) interaction energies are shown separately.
光学迷彩2.0 : 透明化する自己像を見る体験の設計(<特集>複合現実感5)
Optical Camouflage 2.0 : The design method of transparent coat with self-image
2011
Transactions of the Virtual Reality Society of Japan
Optical Camouflage 2.0 : The design method of transparent coat with self-image
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骨盤部神経芽腫の1例 : 本邦例との比較および予後検討について
A Case of Pelvic Neuroblastoma : Review of the Japanese Cases and Their Prognosis
1993
Journal of the Japanese Society of Pediatric Surgeons
A Case of Pelvic Neuroblastoma : Review of the Japanese Cases and Their Prognosis
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Temperature and Magnetic Field Dependences of Magnetization for Ni_2In-Type (Mn_<0.9>Rh_<0.1>)_7Sn_4
25a-PS-111 Ni_2In型(Mn_<0.9>Rh_<0.1>)_7Sn_4の磁化の温度依存性および磁場依存性
1998
Meeting Abstracts of the Physical Society of Japan (Nihon Butsuri Gakkai koen gaiyoshu)
25a-PS-111 Ni_2In型(Mn_<0.9>Rh_<0.1>)_7Sn_4の磁化の温度依存性および磁場依存性
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Development of the Multi-dimensional Privacy Scale for Internet Users (MPS-I)
インターネット版プライバシー次元尺度の作成
2013
The Japanese Journal of Personality
インターネット版プライバシー次元尺度の作成
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Development of the Multi-dimensional Privacy Scale for Internet Users (MPS-I) Hirotsune S 1 and Naoya T 2 1 Master's Program in Education, University of Tsukuba 2 Faculty of Human Science, Tokiwa University ...
doi:10.2132/personality.21.312
fatcat:tzdzbcjugbgepbm27ixflholnu
消防活動時における危険要因分析
An Analysis of Risk Factors during Fire Fighting
2004
The Japanese Journal of Ergonomics
An Analysis of Risk Factors during Fire Fighting
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An Analysis of Risk Factors during Fire Fighting Naoya Kanda (Waseda Univ.), Shin HongSon (Tokiwa Univ.) ...
doi:10.5100/jje.40.supplement_526
fatcat:6j3d6i6nijewhiq5rf5oc4grca
Rapport d'activite pour l'annee 2006
2007
Revue japonaise de didactique du français
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INOUE Daisuke, TANAKA Sachiko, MOGI Ryoji, INOUE Miho, OHKI Mitsuru, OKUBO Masanori, ITO Naoya, La Societe Japonaise de Didactique du Francais NII-Electronic Library Service 384 NISHIYAMA Noriyuki, SUGIYAMA ...
Montréal) : « Autonomie langagière et TIC (technologies de l'information et de la communication) », suivie par une table ronde intitulée « Autonomie et CALL dans le contexte pédagogique japonais », avec Mme TOKIWA ...
doi:10.24495/rjdf.2.1_381
fatcat:unj3wxqqwjgutesomk5xral2xe
A Study on Extraction of Impact Noises from Diesel Engine Noise
ディーゼルエンジン騒音における衝撃騒音の分離に関する研究
2004
TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B
ディーゼルエンジン騒音における衝撃騒音の分離に関する研究
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KOJIMA *3 Graduate School of Yamaguchi University, 2-16-1 Tokiwa-dai, Ube shi, Yamaguchi, 755 8611 Japan The noise reduction of the diesel engine has one of the highest priorities for the noise pollution ...
Frequency characteristics of combustion Impact
Fig. 10 Time-frequency characteristics of engine noise
2 A Study on Extraction of Impact Noises from Diesel Engine Noise Yasuo MIURA*3, Masato MIKAMI and Naoya ...
doi:10.1299/kikaib.70.286
fatcat:3qtsrzioj5bpzbo7e63v7tfgeq
ISSCC 2021 Index to Authors
2021
2021 IEEE International Solid- State Circuits Conference (ISSCC)
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Thacker, Hiren D. 276 Thaller, Edwin 452 Theuwissen, Albert 30 Thimmegowda, Deepak 424 Thippana, Achuta 54 Timbadiya, Jaykant B. 208 Tiurin, Evgenii 304 Tochigi, Yasuhisa 114 Tokiwa, Naoya 428 Tong, Tzu-Wei ...
doi:10.1109/isscc42613.2021.9365764
fatcat:xs32ovjzirfy5hdcligtq5yfuy
Operating times and clinical outcomes in percutaneous nephrolithotomy: A comparison of tract dilation methods
2016
Urological Science
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CULTURE BEFORE TRANSRECTAL ULTRASOUND GUIDED PROSTATE BIOPSY FOR PREVENTING INFECTIVE COMPLICATIONS AND CHARACTERISTICS OF QUINOLONE RESISTANT ESCHERICHIA COLI ISOLATED FROM THE RECTAL SWAB Tachiki 12 , Naoya ...
HYPERTENSION IN CHINESE/TAIWANESE POPULATION
IPD19 IPD15: ONE-YEAR ANATOMIC OUTCOMES OF LAPAROSCOPIC SACROCOL-POPEXY IN KAMEDA MEDICAL CENTERTing-Wen Huang, Jimmy Masayoshi Nomura, Shingo Moriyama, Shino Tokiwa ...
doi:10.1016/j.urols.2016.05.031
fatcat:y7xqc555lfgwjofstaaqrlglci
特集「対人コミュニケーションに関する定量的実証研究」
Special Issue: A Quantitative Empirical Study on Interpersonal Communication
2012
The Japanese Journal of Language in Society
Special Issue: A Quantitative Empirical Study on Interpersonal Communication
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Special Iss 耻 e ： AQuantitative Empirical Study on Interpersonal Comm 皿 ication Kazumi OGAwA ｛ Aichi Shukutoku University ) ， Mika ENoMoTo ( Tokyo University of Technology ) ， Naoya TABATA ( Tokiwa University ...
doi:10.19024/jajls.15.1_1
fatcat:jm6zfdazurcqjosrcnzz4naqau
An evaluation of ischemic cerebrovascular disorders by RI angiography
RI angiographyによる虚血性脳血管障害の検討
1984
Japanese Journal of National Medical Services
RI angiographyによる虚血性脳血管障害の検討
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NON-OPERATIVE CASES OF RUPTURED INTRACRANIAL ANEURYSMS Makoto SONOBE, Shinichiro TAKAHASHI, Naoya KUWAYAMA and Kyoichi SUGITA (Mito National Hospital, Ibaraki) Two hundred and two patients with subarachnoid ...
doi:10.11261/iryo1946.38.1041
fatcat:5glwcqfiojdfbpf2fvl32h3gzy
[Back cover]
1986
Journal of Lightwave Technology
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Uchida, Naoya, + , J-LTAug861132-1138 + Check author entry for coauthors Hydrophones; c f . ...
Tokiwa, HidehWseeNakai, Tetsuya, J-LTJan 8687-89
Tokiwa, Hideharu, and Yoshinori Mimura. ultralow-loss fluoride-glass single-mode
Tomita, Nobuo, Hide0 Kobayashi, Masatoshi Shimizu, and Junichi Takagi ...
doi:10.1109/jlt.1986.1074679
fatcat:s7rsyhxtavggxltcqyrdlvhohu
示説抄録(2日目)
2019
The Japanese Journal of Jaw Deformities
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Division of Orthodontics, Niigata University Graduate School of Medical and Dental Sciences, 2) Division of Comprehensive Prosthodontics, Niigata University Graduate School of Medical and Dental Sciences ○NAOYA ...
) 1) Uni Orthodontic Clinic, 2) Sapporo Higashi Tokushukai Hospital of Dentistry and Oral Surgery, 3) Tsuruki Clinic Dental Medical, 4) Professional Orthodontic Clinic, 5) IDEA Orthodontic Office, 6) Tokiwa ...
doi:10.5927/jjjd.29.202
fatcat:qtcvatgwzbhlblf3uri2ddm7n4
懸念的被透視感が生じる際に手がかりとなる情報の特徴 : ボードゲームを用いた検討(<特集>対人コミュニケーションに関する定量的実証研究)
Characteristics of Cues to a Sense of Unwanted Transparency : Using a Board Game(A Quantitative Empirical Study on Interpersonal Communication)
2012
The Japanese Journal of Language in Society
Characteristics of Cues to a Sense of Unwanted Transparency : Using a Board Game(A Quantitative Empirical Study on Interpersonal Communication)
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( Tokiwa University ) The sense of unwanted transparency is the feeling that another person seemingly notices something about us that we would rather conceal ． ...
キ ー ワ ー ド 懸 念 的 被 透 視 感 ，懸念 的 被 透視 感 の 手 が か り と な る 情 報 ，欺 瞞 的 コ ミ ュ ニ ケ ー シ ョ ン ， 相 手 と の 親 密 度，ボ ー ドゲ ー ム Characte stics of Cues to a Sense of Unwanted Transparency ： Using a Board Game Naoya TABATA ...
doi:10.19024/jajls.15.1_4
fatcat:ftqk5svsxbcirkyjyry52z323e
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