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Comparative Binding Analysis of Dipeptidyl Peptidase IV (DPP-4) with Antidiabetic Drugs – An Ab Initio Fragment Molecular Orbital Study

Sundaram Arulmozhiraja, Naoya Matsuo, Erika Ishitsubo, Seiji Okazaki, Hitoshi Shimano, Hiroaki Tokiwa, Paul Proost
2016 PLoS ONE  
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.
more » ... 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.
doi:10.1371/journal.pone.0166275 pmid:27832184 pmcid:PMC5104442 fatcat:gb2o5cslgzaeto5tehkk6wo3pu

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

Naoya Koizumi, Takuji Tokiwa, Maki Sugimoto, Masahiko Inami
2011 Transactions of the Virtual Reality Society of Japan  
doi:10.18974/tvrsj.16.2_149 fatcat:5kzpt4tve5gqvm2derd2bihh2i

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

Hiroshi Nakajima, Tohru Sugimoto, Takuma Shikata, Hajime Hosoi, Hiroshi Mine, Hidekazu Kawakatsu, Tadashi Sawada, Naoya Iwai, Kazuaki Tokiwa, Hiroyuki Sugihara
1993 Journal of the Japanese Society of Pediatric Surgeons  
doi:10.11164/jjsps.29.4_874 fatcat:em3kmm7qhbdijno5bpkdakk3hy

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

Hisanori HANAI, Shuichiro ANZAI, Masanori MATOBA, Naoya TOKIWA
1998 Meeting Abstracts of the Physical Society of Japan (Nihon Butsuri Gakkai koen gaiyoshu)  
doi:10.11316/jpsgaiyo.53.2.3.0_474_2 fatcat:nijdpxzxzbc3vme3mz22a74nxm

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

Hirotsune Sato, Naoya Tabata
2013 The Japanese Journal of Personality  
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

Naoya Kanda, HongSon Shin, Yoshihide Takahata, Fumiko Matsuda
2004 The Japanese Journal of Ergonomics  
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  
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

Yasuo MIURA, Masato MIKAMI, Naoya KOJIMA
2004 TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B  
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)  
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

Kuo-Kang Feng, Yuan-Ju Lee, I-Ni Chiang, Sho-Mon Wang, Kuo-How Huang, Hong-Chiang Chang
2016 Urological Science  
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

Kazumi OGAWA, Mika ENOMOTO, Naoya TABATA
2012 The Japanese Journal of Language in Society  
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

Kuniaki MATSUMORI, Toshio BEPPU, Kenji NAKAYAMA, Motoyoshi SAITO, Nobuo AOKI, Kaichi TOKIWA, Yukimitsu TASEI
1984 Japanese Journal of National Medical Services  
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  
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  
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)

Naoya TABATA
2012 The Japanese Journal of Language in Society  
( 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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