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Items: 1 to 20 of 72

1.

A computational strategy for finding novel targets and therapeutic compounds for opioid dependence.

Wu X, Xie S, Wang L, Fan P, Ge S, Xie XQ, Wu W.

PLoS One. 2018 Nov 7;13(11):e0207027. doi: 10.1371/journal.pone.0207027. eCollection 2018.

2.

Synergism of antihypertensives and cholinesterase inhibitors in Alzheimer's disease.

Hu Z, Wang L, Ma S, Kirisci L, Feng Z, Xue Y, Klunk WE, Kamboh MI, Sweet RA, Becker J, Lv Q, Lopez OL, Xie XQ.

Alzheimers Dement (N Y). 2018 Oct 14;4:542-555. doi: 10.1016/j.trci.2018.09.001. eCollection 2018.

3.

Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3.

He X, Man VH, Ji B, Xie XQ, Wang J.

J Comput Aided Mol Des. 2018 Sep 14. doi: 10.1007/s10822-018-0162-6. [Epub ahead of print]

PMID:
30218199
4.

Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation.

Bian YM, He XB, Jing YK, Wang LR, Wang JM, Xie XQ.

Acta Pharmacol Sin. 2018 Sep 10. doi: 10.1038/s41401-018-0071-1. [Epub ahead of print]

PMID:
30202014
5.

An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation.

Wang Y, Lin W, Wu N, He X, Wang J, Feng Z, Xie XQ.

J Mol Model. 2018 Aug 18;24(9):243. doi: 10.1007/s00894-018-3790-9.

PMID:
30121710
6.

Targeted inhibition of the type 2 cannabinoid receptor is a novel approach to reduce renalĀ fibrosis.

Zhou L, Zhou S, Yang P, Tian Y, Feng Z, Xie XQ, Liu Y.

Kidney Int. 2018 Oct;94(4):756-772. doi: 10.1016/j.kint.2018.05.023. Epub 2018 Aug 6.

PMID:
30093080
7.

XRK3F2 Inhibition of p62-ZZ Domain Signaling Rescues Myeloma-Induced GFI1-Driven Epigenetic Repression of the Runx2 Gene in Pre-osteoblasts to Overcome Differentiation Suppression.

Adamik J, Silbermann R, Marino S, Sun Q, Anderson JL, Zhou D, Xie XQ, Roodman GD, Galson DL.

Front Endocrinol (Lausanne). 2018 Jun 29;9:344. doi: 10.3389/fendo.2018.00344. eCollection 2018.

8.

Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era.

Jing Y, Bian Y, Hu Z, Wang L, Xie XQ.

AAPS J. 2018 Jun 25;20(4):79. doi: 10.1208/s12248-018-0243-4.

PMID:
29943256
9.

N-terminal arginylation generates a bimodal degron that modulates autophagic proteolysis.

Yoo YD, Mun SR, Ji CH, Sung KW, Kang KY, Heo AJ, Lee SH, An JY, Hwang J, Xie XQ, Ciechanover A, Kim BY, Kwon YT.

Proc Natl Acad Sci U S A. 2018 Mar 20;115(12):E2716-E2724. doi: 10.1073/pnas.1719110115. Epub 2018 Mar 5.

10.

Allosteric Modulation of Intact Ī³-Secretase Structural Dynamics.

Lee JY, Feng Z, Xie XQ, Bahar I.

Biophys J. 2017 Dec 19;113(12):2634-2649. doi: 10.1016/j.bpj.2017.10.012.

PMID:
29262358
11.

ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research.

Wang N, Wang L, Xie XQ.

J Chem Inf Model. 2017 Nov 27;57(11):2686-2698. doi: 10.1021/acs.jcim.7b00277. Epub 2017 Oct 26.

12.

The efficacy and safety of cilostazol as an alternative to aspirin in Chinese patients with aspirin intolerance after coronary stent implantation: a combined clinical study and computational system pharmacology analysis.

Xue Y, Feng ZW, Li XY, Hu ZH, Xu Q, Wang Z, Cheng JH, Shi HT, Wang QB, Wu HY, Xie XQ, Lv QZ.

Acta Pharmacol Sin. 2018 Feb;39(2):205-212. doi: 10.1038/aps.2017.85. Epub 2017 Sep 21.

PMID:
28933424
13.

p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis.

Cha-Molstad H, Yu JE, Feng Z, Lee SH, Kim JG, Yang P, Han B, Sung KW, Yoo YD, Hwang J, McGuire T, Shim SM, Song HD, Ganipisetti S, Wang N, Jang JM, Lee MJ, Kim SJ, Lee KH, Hong JT, Ciechanover A, Mook-Jung I, Kim KP, Xie XQ, Kwon YT, Kim BY.

Nat Commun. 2017 Jul 24;8(1):102. doi: 10.1038/s41467-017-00085-7.

14.

Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5.

Bian Y, Feng Z, Yang P, Xie XQ.

AAPS J. 2017 Jul;19(4):1235-1248. doi: 10.1208/s12248-017-0093-5. Epub 2017 May 30.

15.

Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification-Salvinorin A as a case study.

Xu X, Ma S, Feng Z, Hu G, Wang L, Xie XQ.

J Mol Graph Model. 2016 Nov;70:284-295. doi: 10.1016/j.jmgm.2016.08.001. Epub 2016 Aug 8.

16.
17.

Cardiovascular Disease Chemogenomics Knowledgebase-guided Target Identification and Drug Synergy Mechanism Study of an Herbal Formula.

Zhang H, Ma S, Feng Z, Wang D, Li C, Cao Y, Chen X, Liu A, Zhu Z, Zhang J, Zhang G, Chai Y, Wang L, Xie XQ.

Sci Rep. 2016 Sep 28;6:33963. doi: 10.1038/srep33963.

18.

StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics KnowledgeBase for Target Identification and Systems-Pharmacology Research.

Zhang Y, Wang L, Feng Z, Cheng H, McGuire TF, Ding Y, Cheng T, Gao Y, Xie XQ.

J Chem Inf Model. 2016 Oct 24;56(10):1995-2004. doi: 10.1021/acs.jcim.5b00748. Epub 2016 Oct 7.

19.

Metal binding mediated conformational change of XPA protein:a potential cytotoxic mechanism of nickel in the nucleotide excision repair.

Hu J, Hu Z, Zhang Y, Gou X, Mu Y, Wang L, Xie XQ.

J Mol Model. 2016 Jul;22(7):156. doi: 10.1007/s00894-016-3017-x. Epub 2016 Jun 16.

20.

Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery.

Hu J, Feng Z, Ma S, Zhang Y, Tong Q, Alqarni MH, Gou X, Xie XQ.

J Chem Inf Model. 2016 Jun 27;56(6):1152-63. doi: 10.1021/acs.jcim.5b00739. Epub 2016 May 26.

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