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在“Elsevier电子期刊”中，命中：570条，耗时：0.0159851 秒

在所有数据库中总计命中：1,963条

1.Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity

作者：Qian Wang¹ ; ⁶ ; Maria V. Liberti² ; ³ ; ⁶ ; Pei Liu¹ ; Xiaobing Deng⁴ ; Ying Liu¹ ; ⁵ ; Jason W. Locasale² ; ^{jason.locasale@duke.edu} ; Luhua Lai¹ ; ⁴ ; ⁵ ; ⁷ ; ^{lhlai@pku.edu.cn}

关键词：cancer cell metabolism ; PHGDH ; de novo serine synthesis ; allosteric inhibitor ; rational design ; virtual screen ; anti-tumor ; in vivo

刊名：Cell Chemical Biology

出版年：2017

2.Identification of natural allosteric inhibitor for Akt1 protein through computational approaches and in vitro evaluation

作者：T. Pragna Lakshmi^a ; ^{pragnapcu@gmail.com} ; Amit Kumar^a ; ^{amit.kumar10nov@gmail.com} ; Veena Vijaykumar^b ; ^{btveenavijaykumar@gmail.com} ; Sakthivel Natarajan^b ; ^{puns2005@gmail.com} ; Ramadas Krishna^a ; ^{krishstrucbio@gmail.com}

关键词：PKB ; protein kinase B ; CPH ; common pharmacophore hypothesis ; RMSE ; root mean-square error ; PLS ; partial least-squares ; QSAR ; quantitative structure-activity relationship ; TCM ; traditional Chinese medicine ; HTVS ; high-throughput virtual screening ; SP ; standard precision ; XP ; extra precision ; DFT ; density functional theory ; HOMO ; higher occupied frontier orbitals ; LUMO ; lower unoccupied frontier orbitals ; MDS ; molecular dynamic simulations

刊名：International Journal of Biological Macromolecules

出版年：2017

3.Macrocyclic MEK1/2 inhibitor with efficacy in a mouse model of cardiomyopathy caused by lamin A/C gene mutation

作者：Wei Wu^a ; ^b ; Mahendra D. Chordia^c ; ^g ; Barry P. Hart^d ; E. Sathyajith Kumarasinghe^c ; Min K. Ji^c ; Ajay Bhargava^e ; Michael W. Lawlor^f ; Ji-Yeon Shin^a ; ^b ; Fusako Sera^a ; Shunichi Homma^a ; Antoine Muchir^a ; ^b ; ^h ; Uday R. Khire^c ; ^d ; ^{ukhire@allomek.com} ; Howard J. Worman^a ; ^b ; ^{hjw14@columbia.edu}

关键词：Cardiomyopathy ; Emery-Dreifuss muscular dystrophy ; Extracellular signal-regulated kinase ; Lamin ; MEK inhibitor ; Mitogen-activated protein kinase

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

4.Inhibitor effects on molecular beacon-based mercury assays for tuning of detection range

作者：Van Sang Le^a ; ¹Author Vitae ; Ji-Eun Jeong^b ; ¹Author Vitae ; Boram Kim^aAuthor Vitae ; Jiae Lee^bAuthor Vitae ; Kwangseuk Kyhm^aAuthor Vitae ; Han Young Woo^b ; ^{hywoo@korea.ac.kr}Author Vitae

关键词：Mercury ; Inhibitor ; Conjugated polyelectrolytes ; Detection range ; Molecular beacon

刊名：Sensors and Actuators B: Chemical

出版年：2017

5.Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design

作者：Michelle S. Miller^a ; Sweta Maheshwari^b ; Fiona M. McRobb^c ; Kenneth W. Kinzler^d ; L. Mario Amzel^b ; Bert Vogelstein^d ; Sandra B. Gabelli^a ; ^b ; ^e ; ^{gabelli@jhmi.edu}

关键词：PIK3CA ; PI3K ; PIP2 ; PIP3 ; Fragment-based drug discovery

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

6.X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared with R-citalopram for the allosteric site (S2) on hSERT

作者：Sid Topiol^a ; ^{sid.topiol@3D-2drug.com} ; Benny Bang-Andersen^b ; Connie Sanchez^c ; Per Plenge^d ; Claus J. Loland^d ; Karsten Juhl^b ; Krestian Larsen^b ; Peter Bregnedal^e ; Klaus P. Bø ; gesø ; ^e

关键词：SERT ; serotonin transporter ; DAT ; dopamine transporter ; NAT ; noradrenaline transporter ; NSS ; neurotransmitter ; sodium symporter ; SSRI ; selective serotonin reuptake inhibitor ; TCA ; tricyclic antidepressant ; dDAT ; Drosophila melanogaster DAT ; LeuT ; leucine transporter

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

7.The GABA_B positive allosteric modulators CGP7930 and GS39783 stimulate ERK1/2 signalling in cells lacking functional GABA_B receptors

作者：Maria C. Olianas ; ^{molianas@unica.it} ; Simona Dedoni ; Pierluigi Onali

关键词：CGP7930 (PubChem CID ; 5024764) ; GS39783 (PubChem CID ; 6604928) ; (-)-baclofen (PubChem CID ; 44602) ; SKF97541 (PubChem CID ; 5230) ; CGP55845 (PubChem CID ; 5311042) ; CGP54626 (PubChem CID ; 197584) ; phorbol 12-myristate 13 acetate (PubChem CID ; 27924) ; Go 6850 (PubChem CID ; 2396) ; 5Z-7-oxozeaenol (PubChem CID ; 9863776) ; GW5074 (PubChem CID ; 5924208)

刊名：European Journal of Pharmacology

出版年：2017

8.Identification of AcAP5 as a novel factor Xa inhibitor with both direct and allosteric inhibition

作者：Yuanjun Zhu^a ; ¹ ; Yuan Lin^b ; ¹ ; Xiaoyan Liu^a ; Wenhui Hu^c ; ^{whu@temple.edu} ; Yinye Wang^a ; ^{wangyinye@bjmu.edu.cn}

关键词：Factor Xa ; Active site ; Exosite ; Inhibition ; AcAP5 ; Computational simulation

刊名：Biochemical and Biophysical Research Communications

出版年：2017

9.Binding of small molecules at interface of protein-protein complex - A newer approach to rational drug design

作者：A.B. Gurung^a ; A. Bhattacharjee^a ; M. Ajmal Ali^b ; ^{alimohammad@ksu.edu.sa} ; F. Al-Hemaid^b ; Joongku Lee^c

关键词：Hot spots ; Protein interfaces ; Druggability ; Orthosteric inhibitor ; Allosteric inhibitor ; Interfacial binding inhibitor

刊名：Saudi Journal of Biological Sciences

出版年：2017

10.Discovery of novel 3-hydroxypicolinamides as selective inhibitors of HIV-1 integrase-LEDGF/p75 interaction

作者：Feng-Hua Zhang^a ; Bikash Debnath^b ; Zhong-Liang Xu^a ; Liu-Meng Yang^c ; Li-Rui Song^a ; Yong-Tang Zheng^c ; Nouri Neamati^b ; ^{neamati@umich.edu} ; Ya-Qiu Long^a ; ^{yqlong@simm.ac.cn}

关键词：HIV-1 integrase ; Allosteric inhibitor ; LEDGF/p75 ; Dimerization ; 3-Hydroxypicolinamide

刊名：European Journal of Medicinal Chemistry

出版年：2017

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