| Persistent organic pollutants in food: contamination sources, health effects and detection methods W Guo, B Pan, S Sakkiah, G Yavas, W Ge, W Zou, W Tong, H Hong International journal of environmental research and public health 16 (22), 4361, 2019 | 293 | 2019 |
| 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors S Sakkiah, S Thangapandian, S John, YJ Kwon, KW Lee European journal of medicinal chemistry 45 (6), 2132-2140, 2010 | 158 | 2010 |
| FOXC1 Activates Smoothened-Independent Hedgehog Signalling in Basal-like Breast Cancer CX Han B, Qu Y, Jin Y, Yu Y, Deng N, Wawrowsky K, Zhang X, Li N, Bose S ... Cell Reports 5 (13), 1046-1058, 2015 | 142* | 2015 |
| CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 137 | 2020 |
| Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease KD Singh, P Kirubakaran, S Nagarajan, S Sakkiah, K Muthusamy, ... Journal of molecular modeling 18, 39-51, 2012 | 105 | 2012 |
| Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies S John, S Thangapandian, S Sakkiah, KW Lee BMC bioinformatics 12, 1-11, 2011 | 97 | 2011 |
| Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design S Thangapandian, S John, S Sakkiah, KW Lee European journal of medicinal chemistry 45 (10), 4409-4417, 2010 | 94 | 2010 |
| Molecular dynamics simulations and applications in computational toxicology and nanotoxicology C Selvaraj, S Sakkiah, W Tong, H Hong Food and chemical toxicology 112, 495-506, 2018 | 79 | 2018 |
| Pharmacophore-based virtual screening and density functional theory approach to identifying novel butyrylcholinesterase inhibitors S Sakkiah, KW Lee Acta Pharmacologica Sinica 33 (7), 964-978, 2012 | 77 | 2012 |
| Similarities and differences between variants called with human reference genome HG19 or HG38 B Pan, R Kusko, W Xiao, Y Zheng, Z Liu, C Xiao, S Sakkiah, W Guo, ... BMC bioinformatics 20, 17-29, 2019 | 68 | 2019 |
| Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors S Sakkiah, S Thangapandian, S John, KW Lee European Journal of Medicinal Chemistry 46 (7), 2937-2947, 2011 | 65 | 2011 |
| Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery T Sundarapandian, J Shalini, S Sugunadevi, LK Woo Journal of Molecular Graphics and Modelling 29 (3), 382-395, 2010 | 64 | 2010 |
| A combination of receptor-based pharmacophore modeling & QM techniques for identification of human chymase inhibitors M Arooj, S Sakkiah, S Kim, V Arulalapperumal, KW Lee PLoS One 8 (4), e63030, 2013 | 61 | 2013 |
| An innovative strategy for dual inhibitor design and its application in dual inhibition of human thymidylate synthase and dihydrofolate reductase enzymes M Arooj, S Sakkiah, GP Cao, KW Lee PLoS One 8 (4), e60470, 2013 | 53 | 2013 |
| Molecular docking and pharmacophore filtering in the discovery of dual-inhibitors for human leukotriene A4 hydrolase and leukotriene C4 synthase S Thangapandian, S John, S Sakkiah, KW Lee Journal of chemical information and modeling 51 (1), 33-44, 2011 | 53 | 2011 |
| Experimental data extraction and in silico prediction of the estrogenic activity of renewable replacements for bisphenol A H Hong, BG Harvey, GR Palmese, JF Stanzione III, HW Ng, S Sakkiah, ... International Journal of Environmental Research and Public Health 13 (7), 705, 2016 | 50 | 2016 |
| Potential virtual lead identification in the discovery of renin inhibitors: Application of ligand and structure-based pharmacophore modeling approaches S Thangapandian, S John, S Sakkiah, KW Lee European journal of medicinal chemistry 46 (6), 2469-2476, 2011 | 48 | 2011 |
| Identification of inhibitor binding site in human sirtuin 2 using molecular docking and dynamics simulations S Sakkiah, M Arooj, MR Kumar, SH Eom, KW Lee PLoS One 8 (1), e51429, 2013 | 45 | 2013 |
| Elucidating interactions between SARS-CoV-2 trimeric spike protein and ACE2 using homology modeling and molecular dynamics simulations S Sakkiah, W Guo, B Pan, Z Ji, G Yavas, M Azevedo, J Hawes, ... Frontiers in chemistry 8, 622632, 2021 | 42 | 2021 |
| Identification of potent virtual leads to design novel indoleamine 2, 3-dioxygenase inhibitors: Pharmacophore modeling and molecular docking studies S John, S Thangapandian, S Sakkiah, KW Lee European journal of medicinal chemistry 45 (9), 4004-4012, 2010 | 36 | 2010 |
Mahreen AroojAssociate Professor, Chemistry, University of Sharjah.Verified email at sharjah.ac.ae
