2014 (4) 44. M. Arooj, S. Sakkiah, G. P. Cao, V. Arulalapperumal, S. Kim, K. W. Lee, "Finding Off-Targets, Biological Pathways & Target Diseases for Chymase Inhibitors via Structure-based Systems Biological Approach" PROTEINS: Structure, Functions and Bioinformatics 2014 In Press 43. V. Arulalapperumal, S.Sakkiah, Y. Lee, M. Arooj, G. P. Cao, K. W. Lee, "Computational Approaches for PEP Inhibitors Design: Ligand and Structure-based Pharmacophore Modeling and Molecular Docking" BMC Proceeding 2014 In Press 42. S. Sakkiah, S. Senese, Q. Yang, K. W. Lee, J. Z. Torres, "Dynamic and Multi-pharmacophore Modeling for Designing Polo-box-Domain Inhibitors" PLOS ONE 2014 In Press 41. S. Sakkiah, M. Arooj, K.W. Lee, J.Z. Torres, " Theoretical Approaches to Identify the Potent Scaffold for Human Sirtuin 1 Activators: Bayesian Modeling and Density Functional Theory" Medical Chemistry Research 2014 In Press 2013 (7) 40. M. Son, A. Baek, S. Sakkiah, C. Park, S. John, K. W. Lee, "Exploration of Virtual Candidates for Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations" PLOS ONE 2013 8 (12) E83496 39. L. Chandrasekaran, S. Sakkiah, K.W.Lee, S. Kabilan, M. Chandrasekaran,"Pharmacophore Design, Virtual Screening, Molecular Docking and Optimization Approaches to Discover Potent Thrombin Inhibitors" Combinatorial Chemistry & High Throughput Screening 2013 16 (9) 702-720 38. M. Arooj, S. Sakkiah, S. Kim, V. Arulalapperumal, "A Combination of Receptor-based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors" PLOS ONE 2013 8 (4):e63030 37. M. Arooj, S. Kim, S. Sakkiah, G. P. Cao, Y. Lee, K.W. Lee, "Molecular Modeling Study for Inhibition Mechanism of Human Chymase and its Application in Inhibitor Design" PLOS ONE 2013 8 (4):e62740 36. M. Arooj, S. Sakkiah, G. P. Cao, K. W. Lee, "An Innovative Strategy for Dual Inhibitor Design and its Application in Dual Inhibition of Human Thymidylate Synthase and Dihydroofolate Reductase Enzymes" PLOS ONE 2013 8 (4):e60470 35. S.Sakkiah, M. Arooj, G. P. Cao, K.W. Lee, "Insight the C-Site Pocket Conformational Changes Responsible For Sirtuin 2 Activity Using Molecular Dynamics Simulations" PLOS ONE 2013 8 (3):e59278 34. S. Sakkiah, V. Arullaperumal, S. Hwang, K.W. Lee, "Ligand-based Pharmacophore Modeling and Bayesian Approaches to Identify c-Src Inhibitors" Journal of Enzymes Inhibition and Medicinal Chemistry 2013 In Press. 33. S. Sakkiah, M. Arooj, M.R. Kumar, S.H. Eom, K.W. Lee, "Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations" PLOS ONE 2013 8:e51429 32. M. Chandrsekaran, S. Sakkiah, Y. Lee, J. V. Narayanan, K. W. Lee, "Discovery of Potent Inhibitors for Interleukin-2-Inducible T-cell Kinase: Structure-based Virtual Screening and Molecular Dynamics Simulation Approaches" Journal of Molecular Modeling 2013 19:715-726 2012 (11) 31. S.Sakkiah, S. Thangapandian, C. Park, M. Son, K.W. Lee, "Molecular Docking and Dynamics Simulations, Receptor-based Hypothesis: Application to Identify Novel Sirtuin 2 Inhibitors" Chemical Biology and Drug Design 2012 80:315-327 30. S.Sakkiah, M. Chandrasekaran, YS Sohn, S. Namadevan, K.W. Lee,"Identification of Important Chemical Features of 11β-Hydroxysteroid Dehydrogenase Type1 Inhibitors: Application of Ligand Based Virtual Screening and Density Functional Theory" International Journal of Molecular Science 2012 13:5138-5162 29. S.Sakkiah, M. Chandrasekaran, Y. Lee, S. Kim, "Molecular Modeling Study: Conformational Changes of Sirtuin 2 Due to Substrate and Inhibitor Binding" Journal of Biomolecular Structure and Dynamics 2012 30:235-254 28. A. Venkatesh, S.Sakkiah, S. Thangapandian, Y. Lee, M. Chandrasekaran, S. Hwang, K.W. Lee, "Ligand Based Pharmacophore Identification and Molecular Docking Studies for Grb2 Inhibitor" Bulletin Korean Chemical Society 2012 33:1707-1714 (Co-first author) 27. S.Sakkiah, and K. W. Lee, “Pharmacophore Based Virtual Screening and Density Theory Studies to Identify Novel Butyrylcholinesterase” Acta Pharmacologica Sinica 2012 33:964-978 26. S. Sakkiah, S. Thangapandian, K. W. Lee, “Ligand-based Virtual Screening and Molecular Docking Studies to Identify the Critical Chemical Features of Potent Cathepsin D Inhibitors” Chemical Biology &Drug Design 2012 80:64-79 25. S. Sakkiah, S. Thangapandian, Youngseong Kim, K.W. Lee,“Pharmacophore Modeling and Molecular Dynamics Simulations to Find the Potent Leads for Aurora Kinase B” Bulletin Korean Chemical Society 2012 33:779-789 24. S. Sakkiah, S. Thangapandian, K. W. Lee, "Pharmacophore Modeling, Molecular Docking and Dynamics Simulations Approaches to Identify New Leads for Aldose Reductase 2" Journal of Molecular Modeling 2012 18:3267-3282 23. Kh. Dhanachandra Singh, Palani Kirubakaran, Shanthi Nagarajan, S. Sakkiah, Karthikeyan Muthusamy, Devadasan Velmurugan, Jeyaraman Jeyakanthan, “Homology Modeling. Molecular Dynamics, e-pharmacophore Mapping and Docking Study of Chikungunya Virus nsP2 Protease” Journal of Molecular Modeling 2012 18:39-51 22. C. Meganathan, S. Sakkiah, K. W. Lee, "Combined Chemical Feature Based Assessment and Bayesian Model Studies to Identify Potential Inhibitors for Factor Xa" Medicinal Chemistry Research 2012 21:4083-4099 21. S. Sakkiah, A. Baek, K. W. Lee, "Pharmacophore Modeling and Molecular Dynamics Simulation to Identify the Critical Chemical Features Against Human Sirtuin2 Inhibitors" Journal of Molecular Structure 2012 1011: 66-75 2011 (12) 20. P. Soundararajan*, S.Sakkiah*, Iyyakkannu Sivanesan, Keun Woo Lee, Byoung Ryoung Jeong, "Macromolecular Docking Simulation to Identify Binding Site of FGB1 for Antifungal Compounds" Bulletin Korean Chemical Society 2011 32 3675-3681 (*Co-first author). 19. S. Hwang, S. Thangapandaian, Y. Lee, S. Sakkiah, S. John, K. W. Lee, “Discovery and Evaluation of Potential Sonic Hedgehog Signaling Pathway Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations” Journal of Bioinformatics and Computational Biology 2011 1 15-35 18. S. Sakkiah, S. Thangapandian, S. John, “Pharmacophore Based Virtual Screening, Molecular Docking Studies To Design Potent Heat Shock Protein 90 Inhibitors” European Journal of Medicinal Chemistry 2011 46:2937-2947 (This article was selected as the 1st hottest article from the all EJMC articles for April to June 2011) 17. S. Thangapandian*, S. John*, S. Sakkiah, Keun Woo Lee, “Discovery of Potential Integrin VLA-4 Antagonists Using Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies” Chemical Biology and Drug design 2011 78:289-300 16. S. Thangapandian*, S. John*, S. Sakkiah, K.W. Lee, “Potential Virtual Lead Identification in the Discovery of Renin Inhibitors: Application of Ligand and Structure-Based Pharmacophore Modeling Approaches” European Journal of Medicinal Chemistry 2011 46:2469-2476 15. S. Thangapandian*, S. John*, S. Sakkiah, K.W. Lee, “Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors” European Journal of Medicinal Chemistry 2011 46:1593-1603 14. M. Chandrasekaran*, S. Sakkiah*, K.W. Lee, “Combined Ligand Based Pharmacophore Modeling, Virtual Screening methods to Identify Critical Chemical Features of Novel Potential Inhibitors for Phosphodiesterase-5” Journal of the Taiwan Institute of Chemical Engineers 2011 42:709-718 (*Co-first author) 13. S. Thangapandian*, S. John*, S. Sakkiah, K.W. Lee, “Molecular Docking and Pharmacophore Filtering in the Discovery of Dual-inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase” Journal of Chemical Information and Modeling 2011 51:33-44 12. S. John, S. Thangapandian, S.Sakkiah, K. W. Lee, "Discovery of Potential Pancreatic Cholestrol Esterase Inhibitors Using Pharmacophore Modleing, Virtual Screening and Optimization Studies" Journal od Enzyme Inhibition and Medicinal Chemistry 2011 26:535-545 11. S. John*, S. Thangapandian*, S. Sakkiah, K.W. Lee, “Potent BACE-1 Inhibitor Design using Pharmacophore Modeling, In Silico Screening and Molecular Docking Studies” BMC Bioinformatics 2011 12(s1):S28 10. S. Thangapandian*, S. John*, S. Sakkiah, K.W. Lee, “Molecular Modeling Study on Human Histamine H1 Receptor and Their Applications in Virtual Lead Identification for Designing Novel Inverse Agonists” Molecular Simulation 2011 985:14-26 9. S. Sakkiah, S. Thangapandian, S. John, K.W. Lee, “Identification of Critical Chemical Features for Aurora kinase-B Inhibitors using Hip-Hop, Virtual Screening and Molecular Docking” Journal of Molecular Structure 2011 32:201 – 207 (This article was selected as the 4th hottest article from the all EJMC articles for April to June 2011) 2010 (7) 8. S. Thangapandian*, S. John*, S.Sakkiah, K.W.Lee, “Docking-Enabled Pharmacophore Model for Histone Deacetylase 8 Inhibitors and Its Application in Anti-Cancer Drug Discovery” Journal of Molecular Graphics and Modeling 2010 29:382-395 7. C. Meganathan*, S. Sakkiah*, S. Thangapandian, N. Sundaraganesan, H.-H. Kim, Y.S. Kim, K.W. Lee,“Pharmacophore Design for Anti-inflammatory Agent Targeting Interleukin-2 Inducible Tyrosine Kinase (Itk)” Bulletin Korean Chemical Society 2010 31:3333 - 3340 (*Co-first author) 6. S. Thangapandian*, S. John*, S. Sakkiah, K.W. Lee, “Ligand and Structure Based Pharmacophore Modeling to Facilitate Novel Histone Deacetylase 8 Inhibitor Design” European Journal of Medicinal Chemistry 2010 45:4409-4417 5. S. John*, S. Thangapandian*, S. Sakkiah, K. W. Lee,“Identification of Potent Virtual Leads to Design Novel Indoleamine 2,3-Dioxygenase Inhibitors: Pharmacophore Modeling and Molecular Docking Studies” European Journal of Medicinal Chemistry 2010 45:4004-4012 4. S. Sakkiah, S. Thangapandian, S.John, Y. J. Kwon, K. W. Lee, “3D QSAR Pharmacophore Based Virtual Screening and Molecular Docking for Identification of Potential HSP90 Inhibitors” European Journal of Medicinal Chemistry 2010 45:2132-2140 (4th hottest article from the all EJMC articles for April to June 2010) 3. S. Thangapandian, N. Krishnamoorthy, S. John, S. Sakkiah, K. W. Lee, “Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Identification of New Inverse Agonists of Human Histamine H1 Receptor” Bulletin Korean Chemical Society 2010 31:52-58 2. P. Gajendrarao*, N. Krishnamoorthy*, S. Sakkiah, K. W. Lee, “Molecular Modeling Study on the Orphan Human Protein CYP4A22 for Identification of Potential Ligand Binding Sites” Journal Molecular Graphics and Modeling 2010 28:524-532 2009 (1) 1. S. Sakkiah, N. Krishnamoorthy, P. Gajendrarao, S. Thangapandian, Y. Lee, S. Kim, J.-K. Suh, H.-H. Kim, K. W. Lee,“Pharmacophore Mapping and Virtual Screening for SIRT1 Activators” Bulletin Korean Chemical Society 2009 30:1152-1156