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Items: 1 to 20 of 212

1.

Modeling compound-target interaction network of traditional Chinese medicines for type II diabetes mellitus: insight for polypharmacology and drug design.

Tian S, Li Y, Li D, Xu X, Wang J, Zhang Q, Hou T.

J Chem Inf Model. 2013 Jul 22;53(7):1787-803. doi: 10.1021/ci400146u. Epub 2013 Jun 26.

PMID:
23768230
2.

Drug-target network and polypharmacology studies of a Traditional Chinese Medicine for type II diabetes mellitus.

Gu J, Zhang H, Chen L, Xu S, Yuan G, Xu X.

Comput Biol Chem. 2011 Oct 12;35(5):293-7. doi: 10.1016/j.compbiolchem.2011.07.003. Epub 2011 Jul 20.

PMID:
22000800
3.

Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structures.

Tian S, Sun H, Li Y, Pan P, Li D, Hou T.

J Chem Inf Model. 2013 Oct 28;53(10):2743-56. doi: 10.1021/ci400382r. Epub 2013 Sep 24.

PMID:
24010823
4.

Drug-likeness analysis of traditional Chinese medicines: prediction of drug-likeness using machine learning approaches.

Tian S, Wang J, Li Y, Xu X, Hou T.

Mol Pharm. 2012 Oct 1;9(10):2875-86. Epub 2012 Sep 20.

PMID:
22738405
5.

A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease.

Shi SH, Cai YP, Cai XJ, Zheng XY, Cao DS, Ye FQ, Xiang Z.

PLoS One. 2014 Mar 5;9(3):e89123. doi: 10.1371/journal.pone.0089123. eCollection 2014.

6.

Diverse ways of perturbing the human arachidonic acid metabolic network to control inflammation.

Meng H, Liu Y, Lai L.

Acc Chem Res. 2015 Aug 18;48(8):2242-50. doi: 10.1021/acs.accounts.5b00226. Epub 2015 Aug 3.

PMID:
26237215
7.

Feasibility of using molecular docking-based virtual screening for searching dual target kinase inhibitors.

Zhou S, Li Y, Hou T.

J Chem Inf Model. 2013 Apr 22;53(4):982-96. doi: 10.1021/ci400065e. Epub 2013 Apr 3.

PMID:
23506306
8.
9.

Addressing selective polypharmacology of antipsychotic drugs targeting the bioaminergic receptors through receptor dynamic conformational ensembles.

Selvam B, Porter SL, Tikhonova IG.

J Chem Inf Model. 2013 Jul 22;53(7):1761-74. doi: 10.1021/ci400282q. Epub 2013 Jul 5.

PMID:
23789628
10.

A combination of pharmacophore modeling, molecular docking and virtual screening for iNOS inhibitors from Chinese herbs.

Wang X, Ren Z, He Y, Xiang Y, Zhang Y, Qiao Y.

Biomed Mater Eng. 2014;24(1):1315-22. doi: 10.3233/BME-130934.

PMID:
24212027
11.

Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations.

Shen M, Zhou S, Li Y, Pan P, Zhang L, Hou T.

Mol Biosyst. 2013 Mar;9(3):361-74. doi: 10.1039/c2mb25408e. Epub 2013 Jan 23.

PMID:
23340525
12.

Diabetes is an inflammatory disease: evidence from traditional Chinese medicines.

Xie W, Du L.

Diabetes Obes Metab. 2011 Apr;13(4):289-301. doi: 10.1111/j.1463-1326.2010.01336.x. Review.

PMID:
21205111
13.

Insights into the inhibition and mechanism of compounds against LPS-induced PGE2 production: a pathway network-based approach and molecular dynamics simulations.

Zhang X, Gu J, Cao L, Ma Y, Su Z, Luo F, Wang Z, Li N, Yuan G, Chen L, Xu X, Xiao W.

Integr Biol (Camb). 2014 Dec;6(12):1162-9. doi: 10.1039/c4ib00141a. Epub 2014 Sep 17.

PMID:
25228393
14.

Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.

Paricharak S, Cortés-Ciriano I, IJzerman AP, Malliavin TE, Bender A.

J Cheminform. 2015 Apr 15;7:15. doi: 10.1186/s13321-015-0063-9. eCollection 2015.

15.

Three-in-one agonists for PPAR-α, PPAR-γ, and PPAR-δ from traditional Chinese medicine.

Chen KC, Chang SS, Huang HJ, Lin TL, Wu YJ, Chen CY.

J Biomol Struct Dyn. 2012;30(6):662-83. Epub 2012 Jun 26.

PMID:
22731403
16.

Sodium-glucose cotransporter inhibition: therapeutic potential for the treatment of type 2 diabetes mellitus.

Raskin P.

Diabetes Metab Res Rev. 2013 Jul;29(5):347-56. doi: 10.1002/dmrr.2403. Review.

PMID:
23463735
17.

Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.

Cortés-Cabrera A, Morris GM, Finn PW, Morreale A, Gago F.

Br J Pharmacol. 2013 Oct;170(3):557-67. doi: 10.1111/bph.12294.

18.

Systems approaches and polypharmacology for drug discovery from herbal medicines: an example using licorice.

Liu H, Wang J, Zhou W, Wang Y, Yang L.

J Ethnopharmacol. 2013 Apr 19;146(3):773-93. doi: 10.1016/j.jep.2013.02.004. Epub 2013 Feb 14.

PMID:
23415946
19.

Han ethnicity-specific type 2 diabetic treatment from traditional Chinese medicine?

Chen KC, Chang SS, Tsai FJ, Chen CY.

J Biomol Struct Dyn. 2013;31(11):1219-35. doi: 10.1080/07391102.2012.732340. Epub 2012 Nov 12.

PMID:
23146021
20.
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