Tian S - Search Results

1

Discovery of Novel and Selective Adenosine A_2A Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening.

Tian S, Wang X, Li L, Zhang X, Li Y, Zhu F, Hou T, Zhen X. Tian S, et al. J Chem Inf Model. 2017 Jun 26;57(6):1474-1487. doi: 10.1021/acs.jcim.7b00188. Epub 2017 May 15. J Chem Inf Model. 2017. PMID: 28463561

2

ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints.

Tian S, Li Y, Wang J, Zhang J, Hou T. Tian S, et al. Mol Pharm. 2011 Jun 6;8(3):841-51. doi: 10.1021/mp100444g. Epub 2011 May 16. Mol Pharm. 2011. PMID: 21548635

3

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. Tian S, et al. Mol Pharm. 2012 Oct 1;9(10):2875-86. doi: 10.1021/mp300198d. Epub 2012 Sep 20. Mol Pharm. 2012. PMID: 22738405

4

Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.

Shen M, Tian S, Li Y, Li Q, Xu X, Wang J, Hou T. Shen M, et al. Among authors: tian s. J Cheminform. 2012 Nov 27;4(1):31. doi: 10.1186/1758-2946-4-31. J Cheminform. 2012. PMID: 23181938 Free PMC article.

5

Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines.

Tian S, Li Y, Wang J, Xu X, Xu L, Wang X, Chen L, Hou T. Tian S, et al. J Cheminform. 2013 Jan 21;5(1):5. doi: 10.1186/1758-2946-5-5. J Cheminform. 2013. PMID: 23336706 Free PMC article.

6

Current developments of macrophage migration inhibitory factor (MIF) inhibitors.

Xu L, Li Y, Sun H, Zhen X, Qiao C, Tian S, Hou T. Xu L, et al. Among authors: tian s. Drug Discov Today. 2013 Jun;18(11-12):592-600. doi: 10.1016/j.drudis.2012.12.013. Epub 2013 Mar 4. Drug Discov Today. 2013. PMID: 23466524 Review.

7

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. Tian S, et al. J Chem Inf Model. 2013 Jul 22;53(7):1787-803. doi: 10.1021/ci400146u. Epub 2013 Jun 26. J Chem Inf Model. 2013. PMID: 23768230

8

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. Tian S, et al. J Chem Inf Model. 2013 Oct 28;53(10):2743-56. doi: 10.1021/ci400382r. Epub 2013 Sep 24. J Chem Inf Model. 2013. PMID: 24010823

9

ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates.

Li D, Chen L, Li Y, Tian S, Sun H, Hou T. Li D, et al. Among authors: tian s. Mol Pharm. 2014 Mar 3;11(3):716-26. doi: 10.1021/mp400450m. Epub 2014 Feb 18. Mol Pharm. 2014. PMID: 24499501

10

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.

Sun H, Li Y, Tian S, Xu L, Hou T. Sun H, et al. Among authors: tian s. Phys Chem Chem Phys. 2014 Aug 21;16(31):16719-29. doi: 10.1039/c4cp01388c. Phys Chem Chem Phys. 2014. PMID: 24999761

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