Lee KW - Search Results

1

Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations.

Rampogu S, Baek A, Zeb A, Lee KW. Rampogu S, et al. Among authors: lee kw. BMC Cancer. 2018 Mar 7;18(1):264. doi: 10.1186/s12885-018-4050-1. BMC Cancer. 2018. PMID: 29514608 Free PMC article.

2

Pharmacophore modeling for protein tyrosine phosphatase 1B inhibitors.

Bharatham K, Bharatham N, Lee KW. Bharatham K, et al. Among authors: lee kw. Arch Pharm Res. 2007 May;30(5):533-42. doi: 10.1007/BF02977644. Arch Pharm Res. 2007. PMID: 17615669

3

Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling.

Bharatham K, Bharatham N, Kwon YJ, Lee KW. Bharatham K, et al. Among authors: lee kw. J Comput Aided Mol Des. 2008 Dec;22(12):925-33. doi: 10.1007/s10822-008-9229-0. Epub 2008 Aug 7. J Comput Aided Mol Des. 2008. PMID: 18685809

4

Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies.

John S, Thangapandian S, Sakkiah S, Lee KW. John S, et al. Among authors: lee kw. Eur J Med Chem. 2010 Sep;45(9):4004-12. doi: 10.1016/j.ejmech.2010.05.057. Epub 2010 Jun 2. Eur J Med Chem. 2010. PMID: 20580138

5

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design.

Thangapandian S, John S, Sakkiah S, Lee KW. Thangapandian S, et al. Among authors: lee kw. Eur J Med Chem. 2010 Oct;45(10):4409-17. doi: 10.1016/j.ejmech.2010.06.024. Epub 2010 Jun 23. Eur J Med Chem. 2010. PMID: 20656379

6

Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery.

Thangapandian S, John S, Sakkiah S, Lee KW. Thangapandian S, et al. Among authors: lee kw. J Mol Graph Model. 2010 Nov;29(3):382-95. doi: 10.1016/j.jmgm.2010.07.007. Epub 2010 Aug 3. J Mol Graph Model. 2010. PMID: 20870437

7

Molecular docking and pharmacophore filtering in the discovery of dual-inhibitors for human leukotriene A4 hydrolase and leukotriene C4 synthase.

Thangapandian S, John S, Sakkiah S, Lee KW. Thangapandian S, et al. Among authors: lee kw. J Chem Inf Model. 2011 Jan 24;51(1):33-44. doi: 10.1021/ci1002813. Epub 2010 Dec 6. J Chem Inf Model. 2011. PMID: 21133343

8

Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies.

John S, Thangapandian S, Sakkiah S, Lee KW. John S, et al. Among authors: lee kw. BMC Bioinformatics. 2011 Feb 15;12 Suppl 1(Suppl 1):S28. doi: 10.1186/1471-2105-12-S1-S28. BMC Bioinformatics. 2011. PMID: 21342558 Free PMC article.

9

Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches.

Thangapandian S, John S, Sakkiah S, Lee KW. Thangapandian S, et al. Among authors: lee kw. Eur J Med Chem. 2011 Jun;46(6):2469-76. doi: 10.1016/j.ejmech.2011.03.035. Epub 2011 Mar 25. Eur J Med Chem. 2011. PMID: 21497958

10

Discovery of potential integrin VLA-4 antagonists using pharmacophore modeling, virtual screening and molecular docking studies.

Thangapandian S, John S, Sakkiah S, Lee KW. Thangapandian S, et al. Among authors: lee kw. Chem Biol Drug Des. 2011 Aug;78(2):289-300. doi: 10.1111/j.1747-0285.2011.01127.x. Epub 2011 Jun 20. Chem Biol Drug Des. 2011. PMID: 21507205

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