Pharmacophore-based virtual screening and density functional theory approach to identifying novel butyrylcholinesterase inhibitors

par Sakkiah, Sugunadevi, Lee, Keun Woo
Publié 2012

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

par John, Shalini, Thangapandian, Sundarapandian, Sakkiah, Sugunadevi, Lee, Keun Woo
Publié 2011

An Innovative Strategy for Dual Inhibitor Design and Its Application in Dual Inhibition of Human Thymidylate Synthase and Dihydrofolate Reductase Enzymes

par Arooj, Mahreen, Sakkiah, Sugunadevi, Cao, Guang ping, Lee, Keun Woo
Publié 2013

Insight the C-Site Pocket Conformational Changes Responsible for Sirtuin 2 Activity Using Molecular Dynamics Simulations

par Sakkiah, Sugunadevi, Arooj, Mahreen, Cao, Guang Ping, Lee, Keun Woo
Publié 2013

A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors

par Arooj, Mahreen, Sakkiah, Sugunadevi, Kim, Songmi, Arulalapperumal, Venkatesh, Lee, Keun Woo
Publié 2013

Identification of Important Chemical Features of 11β-Hydroxysteroid Dehydrogenase Type1 Inhibitors: Application of Ligand Based Virtual Screening and Density Functional Theory

par Sakkiah, Sugunadevi, Meganathan, Chandrasekaran, Sohn, Young-Sik, Namadevan, Sundaraganesan, Lee, Keun Woo
Publié 2012

Dynamic and Multi-Pharmacophore Modeling for Designing Polo-Box Domain Inhibitors

par Sakkiah, Sugunadevi, Senese, Silvia, Yang, Qianfan, Lee, Keun Woo, Torres, Jorge Z.
Publié 2014

Consensus Modeling for Prediction of Estrogenic Activity of Ingredients Commonly Used in Sunscreen Products

par Hong, Huixiao, Rua, Diego, Sakkiah, Sugunadevi, Selvaraj, Chandrabose, Ge, Weigong, Tong, Weida
Publié dans Int J Environ Res Public Health (2016)

Development of estrogen receptor beta binding prediction model using large sets of chemicals

par Sakkiah, Sugunadevi, Selvaraj, Chandrabose, Gong, Ping, Zhang, Chaoyang, Tong, Weida, Hong, Huixiao
Publié dans Oncotarget (2017)

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

par Sakkiah, Sugunadevi, Arooj, Mahreen, Kumar, Manian Rajesh, Eom, Soo Hyun, Lee, Keun Woo
Publié 2013

Exploration of Virtual Candidates for Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations

par Son, Minky, Baek, Ayoung, Sakkiah, Sugunadevi, Park, Chanin, John, Shalini, Lee, Keun Woo
Publié 2013

Nanomaterial Databases: Data Sources for Promoting Design and Risk Assessment of Nanomaterials

par Ji, Zuowei, Guo, Wenjing, Sakkiah, Sugunadevi, Liu, Jie, Patterson, Tucker A., Hong, Huixiao
Publié dans Nanomaterials (Basel) (2021)

Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design

par Arooj, Mahreen, Kim, Songmi, Sakkiah, Sugunadevi, Cao, Guang Ping, Lee, Yuno, Lee, Keun Woo
Publié 2013

sNebula, a network-based algorithm to predict binding between human leukocyte antigens and peptides

par Luo, Heng, Ye, Hao, Ng, Hui Wen, Sakkiah, Sugunadevi, Mendrick, Donna L., Hong, Huixiao
Publié dans Sci Rep (2016)

Endocrine Disrupting Chemicals Mediated through Binding Androgen Receptor Are Associated with Diabetes Mellitus

par Sakkiah, Sugunadevi, Wang, Tony, Zou, Wen, Wang, Yuping, Pan, Bohu, Tong, Weida, Hong, Huixiao
Publié dans Int J Environ Res Public Health (2017)

Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated Through Molecular Dynamics Simulations

par Sakkiah, Sugunadevi, Kusko, Rebecca, Pan, Bohu, Guo, Wenjing, Ge, Weigong, Tong, Weida, Hong, Huixiao
Publié dans Front Pharmacol (2018)

Pathway Analysis Revealed Potential Diverse Health Impacts of Flavonoids that Bind Estrogen Receptors

par Ye, Hao, Ng, Hui Wen, Sakkiah, Sugunadevi, Ge, Weigong, Perkins, Roger, Tong, Weida, Hong, Huixiao
Publié dans Int J Environ Res Public Health (2016)

Identification of Epidemiological Traits by Analysis of SARS−CoV−2 Sequences

par Pan, Bohu, Ji, Zuowei, Sakkiah, Sugunadevi, Guo, Wenjing, Liu, Jie, Patterson, Tucker A., Hong, Huixiao
Publié dans Viruses (2021)

Persistent Organic Pollutants in Food: Contamination Sources, Health Effects and Detection Methods

par Guo, Wenjing, Pan, Bohu, Sakkiah, Sugunadevi, Yavas, Gokhan, Ge, Weigong, Zou, Wen, Tong, Weida, Hong, Huixiao
Publié dans Int J Environ Res Public Health (2019)

A Rat α-Fetoprotein Binding Activity Prediction Model to Facilitate Assessment of the Endocrine Disruption Potential of Environmental Chemicals

par Hong, Huixiao, Shen, Jie, Ng, Hui Wen, Sakkiah, Sugunadevi, Ye, Hao, Ge, Weigong, Gong, Ping, Xiao, Wenming, Tong, Weida
Publié dans Int J Environ Res Public Health (2016)