Yuan HL - Search Results

1

Combined pharmacophore modeling, docking, and 3D-QSAR studies of PLK1 inhibitors.

Lu S, Liu HC, Chen YD, Yuan HL, Sun SL, Gao YP, Yang P, Zhang L, Lu T. Lu S, et al. Among authors: yuan hl. Int J Mol Sci. 2011;12(12):8713-39. doi: 10.3390/ijms12128713. Epub 2011 Dec 1. Int J Mol Sci. 2011. PMID: 22272100 Free PMC article.

2

Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors.

Chen XM, Lu T, Lu S, Li HF, Yuan HL, Ran T, Liu HC, Chen YD. Chen XM, et al. Among authors: yuan hl. J Mol Model. 2010 Jul;16(7):1195-204. doi: 10.1007/s00894-009-0630-y. Epub 2009 Dec 18. J Mol Model. 2010. PMID: 20020310

3

Novel strategy for three-dimensional fragment-based lead discovery.

Yuan H, Lu T, Ran T, Liu H, Lu S, Tai W, Leng Y, Zhang W, Wang J, Chen Y. Yuan H, et al. J Chem Inf Model. 2011 Apr 25;51(4):959-74. doi: 10.1021/ci200003c. Epub 2011 Mar 25. J Chem Inf Model. 2011. PMID: 21438547

4

A selectivity study on mTOR/PI3Kα inhibitors by homology modeling and 3D-QSAR.

Ran T, Lu T, Yuan H, Liu H, Wang J, Zhang W, Leng Y, Lin G, Zhuang S, Chen Y. Ran T, et al. J Mol Model. 2012 Jan;18(1):171-86. doi: 10.1007/s00894-011-1034-3. Epub 2011 Apr 27. J Mol Model. 2012. PMID: 21523553

5

Pharmacophore modeling and virtual screening studies to identify new c-Met inhibitors.

Tai W, Lu T, Yuan H, Wang F, Liu H, Lu S, Leng Y, Zhang W, Jiang Y, Chen Y. Tai W, et al. J Mol Model. 2012 Jul;18(7):3087-100. doi: 10.1007/s00894-011-1328-5. Epub 2011 Dec 28. J Mol Model. 2012. PMID: 22203475

6

Identification of novel polo-like kinase 1 inhibitors by a hybrid virtual screening.

Lu S, Sun SL, Liu HC, Chen YD, Yuan HL, Gao YP, Yang P, Lu T. Lu S, et al. Among authors: yuan hl. Chem Biol Drug Des. 2012 Aug;80(2):328-39. doi: 10.1111/j.1747-0285.2012.01412.x. Epub 2012 Jun 8. Chem Biol Drug Des. 2012. PMID: 22583481

7

Design, synthesis and biological evaluation of β-carboline derivatives as novel inhibitors targeting B-Raf kinase.

Xin B, Tang W, Wang Y, Lin G, Liu H, Jiao Y, Zhu Y, Yuan H, Chen Y, Lu T. Xin B, et al. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4783-6. doi: 10.1016/j.bmcl.2012.05.053. Epub 2012 May 24. Bioorg Med Chem Lett. 2012. PMID: 22704238

8

De novo design of N-(pyridin-4-ylmethyl)aniline derivatives as KDR inhibitors: 3D-QSAR, molecular fragment replacement, protein-ligand interaction fingerprint, and ADMET prediction.

Zhang Y, Liu H, Jiao Y, Yuan H, Wang F, Lu S, Yao S, Ke Z, Tai W, Jiang Y, Chen Y, Lu T. Zhang Y, et al. Mol Divers. 2012 Nov;16(4):787-802. doi: 10.1007/s11030-012-9405-y. Epub 2012 Oct 23. Mol Divers. 2012. PMID: 23090418

9

Molecular modelling on small molecular CDK2 inhibitors: an integrated approach using a combination of molecular docking, 3D-QSAR and pharmacophore modelling.

Yuan H, Liu H, Tai W, Wang F, Zhang Y, Yao S, Ran T, Lu S, Ke Z, Xiong X, Xu J, Chen Y, Lu T. Yuan H, et al. SAR QSAR Environ Res. 2013 Oct;24(10):795-817. doi: 10.1080/1062936X.2013.815655. Epub 2013 Aug 13. SAR QSAR Environ Res. 2013. PMID: 23941641

10

Fragment-based strategy for structural optimization in combination with 3D-QSAR.

Yuan H, Tai W, Hu S, Liu H, Zhang Y, Yao S, Ran T, Lu S, Ke Z, Xiong X, Xu J, Chen Y, Lu T. Yuan H, et al. J Comput Aided Mol Des. 2013 Oct;27(10):897-915. doi: 10.1007/s10822-013-9687-x. Epub 2013 Nov 1. J Comput Aided Mol Des. 2013. PMID: 24178966

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