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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 26, 2011 - Issue 4
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Original Article

Discovery of potential pancreatic cholesterol esterase inhibitors using pharmacophore modelling, virtual screening, and optimization studies

Shalini JohnDepartment of Biochemistry and Division of Applied Life Science (BK21 Program), Environmental Biotechnology National Core Research Center (EB-NCRC), Gyeongsang National University (GNU), Jinju, Republic of Korea
,
Sundarapandian ThangapandianDepartment of Biochemistry and Division of Applied Life Science (BK21 Program), Environmental Biotechnology National Core Research Center (EB-NCRC), Gyeongsang National University (GNU), Jinju, Republic of Korea
,
Sugunadevi SakkiahDepartment of Biochemistry and Division of Applied Life Science (BK21 Program), Environmental Biotechnology National Core Research Center (EB-NCRC), Gyeongsang National University (GNU), Jinju, Republic of Korea
&
Keun Woo LeeDepartment of Biochemistry and Division of Applied Life Science (BK21 Program), Environmental Biotechnology National Core Research Center (EB-NCRC), Gyeongsang National University (GNU), Jinju, Republic of Korea
Pages 535-545 | Received 01 Jul 2010, Accepted 26 Oct 2010, Published online: 14 Dec 2010

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Muthukumaran Rajagopalan, Sangeetha Balasubramanian, Amutha Ramaswamy & Premendu Prakash Mathur. (2013) Pharmacophore based 3D-QSAR modeling and free energy analysis of VEGFR-2 inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 28:6, pages 1236-1246.
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Adel Hamza, Ning-Ning Wei, Ce Hao, Zhilong Xiu & Chang-Guo Zhan. (2013) A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model. Journal of Biomolecular Structure and Dynamics 31:11, pages 1236-1250.
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Shalini John, Sundarapandian Thangapandian & Keun Woo Lee. (2012) Potential Human Cholesterol Esterase Inhibitor Design: Benefits from the Molecular Dynamics Simulations and Pharmacophore Modeling Studies. Journal of Biomolecular Structure and Dynamics 29:5, pages 921-936.
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Articles from other publishers (14)

Priti Mudgil, Waqas N. Baba, Hina Kamal, Richard J. FitzGerald, Hassan M. Hassan, Mohammed Akli Ayoub, Chee-Yuen Gan & Sajid Maqsood. (2022) A comparative investigation into novel cholesterol esterase and pancreatic lipase inhibitory peptides from cow and camel casein hydrolysates generated upon enzymatic hydrolysis and in-vitro digestion. Food Chemistry 367, pages 130661.
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Ilenia Giangreco, Abhik MukhopadhyayJason C. Cole. (2021) Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods. Journal of Chemical Information and Modeling 61:12, pages 5841-5852.
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Waqas N. Baba, Priti Mudgil, Bincy Baby, Ranjit Vijayan, Chee-Yuen Gan & Sajid Maqsood. (2021) New insights into the cholesterol esterase- and lipase-inhibiting potential of bioactive peptides from camel whey hydrolysates: Identification, characterization, and molecular interaction. Journal of Dairy Science 104:7, pages 7393-7405.
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Tamanna Anwar, Pawan Kumar & Asad U. Khan. 2021. Molecular Docking for Computer-Aided Drug Design. Molecular Docking for Computer-Aided Drug Design 1 30 .
Xiangxin Li, Haitao Jiang, Yijing Pu, Jiankang Cao & Weibo Jiang. (2019) Inhibitory Effect of Condensed Tannins from Banana Pulp on Cholesterol Esterase and Mechanisms of Interaction. Journal of Agricultural and Food Chemistry 67:51, pages 14066-14073.
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Priti Mudgil, Bincy Baby, Ying-Yuan Ngoh, Ranjit Vijayan, Chee-Yuen Gan & Sajid Maqsood. (2019) Identification and molecular docking study of novel cholesterol esterase inhibitory peptides from camel milk proteins. Journal of Dairy Science 102:12, pages 10748-10759.
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George Kadakasseril Varghese, Rini Abraham, Nisha N. Chandran & Solomon Habtemariam. (2017) Identification of Lead Molecules in Garcinia mangostana L. Against Pancreatic Cholesterol Esterase Activity: An In Silico Approach. Interdisciplinary Sciences: Computational Life Sciences 11:2, pages 170-179.
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Menizibeya Osain WelcomeMenizibeya Osain Welcome. 2018. Gastrointestinal Physiology. Gastrointestinal Physiology 871 972 .
Duoqian Dai, Lu Zhou, Xiaohong Zhu, Rong You & Liangliang Zhong. (2017) Combined multi-pharmacophore, molecular docking and molecular dynamic study for discovery of promising MTH1 inhibitors. Journal of Molecular Structure 1137, pages 33-42.
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Won-Je Kim, Woo Sung Son, Kyoung-Seok Ryu, Seung-Kyu Lee, Kwang-Hyun Choi, Jong-Sun Lee & Bong-Jin Lee. (2014) Bacterial peptide deformylase inhibitor PMT analogs inhibit cancer cell growth by interacting with human peptide deformylase. Chinese Science Bulletin 59:32, pages 4274-4282.
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Adel Hamza, Jonathan M. Wagner, Ning-Ning Wei, Stefan Kwiatkowski, Chang-Guo Zhan, David S. Watt & Konstantin V. Korotkov. (2014) Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies. Journal of Chemical Information and Modeling 54:10, pages 2834-2845.
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Shalini John, Sundarapandian Thangapandian, Prettina Lazar, Minky Son, Chanin Park & Keun Woo Lee. (2013) New insights in the activation of human cholesterol esterase to design potent anti-cholesterol drugs. Molecular Diversity 18:1, pages 119-131.
Crossref
Ning-Ning Wei & Adel Hamza. (2013) SABRE: Ligand/Structure-Based Virtual Screening Approach Using Consensus Molecular-Shape Pattern Recognition. Journal of Chemical Information and Modeling 54:1, pages 338-346.
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Adel Hamza, Ning-Ning Wei & Chang-Guo Zhan. (2012) Ligand-Based Virtual Screening Approach Using a New Scoring Function. Journal of Chemical Information and Modeling 52:4, pages 963-974.
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