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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 29, 2014 - Issue 1
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Research Article

Ligand-based pharmacophore modeling and Bayesian approaches to identify c-Src inhibitors

Sugunadevi SakkiahDivision of Applied Life Science (BK21 Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU) JinjuRepublic of Korea
,
Venkatesh ArullaperumalDivision of Applied Life Science (BK21 Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU) JinjuRepublic of Korea
,
Swan HwangDivision of Applied Life Science (BK21 Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU) JinjuRepublic of Korea
&
Keun Woo LeeDivision of Applied Life Science (BK21 Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU) JinjuRepublic of KoreaCorrespondence[email protected]
Pages 69-80 | Received 04 Sep 2012, Accepted 22 Nov 2012, Published online: 25 Feb 2013

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Abhisek Jana, Rahul Naga, Sougata Saha & Deb Ranjan Banerjee. (2023) 3D QSAR pharmacophore based lead identification of G9a lysine methyltransferase towards epigenetic therapeutics. Journal of Biomolecular Structure and Dynamics 41:18, pages 8635-8653.
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Abhisek Jana, Rahul Naga, Sougata Saha, Christian Griñán-Ferré & Deb Ranjan Banerjee. (2023) Integration of ligand and structure-based pharmacophore screening for the identification of novel natural leads against Euchromatic histone lysine methyltransferase 2 (EHMT2/G9a). Journal of Biomolecular Structure and Dynamics 0:0, pages 1-28.
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Anand Gaurav & Vertika Gautam. (2014) Structure-based three-dimensional pharmacophores as an alternative to traditional methodologies. Journal of Receptor, Ligand and Channel Research 7, pages 27-38.
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Dibyajyoti Uttameswar Behera, Mahendra Gaur, Maheswata Sahoo, Enketeswara Subudhi & Bharat Bhusan Subudhi. (2024) Development of pharmacophore models for AcrB protein and the identification of potential adjuvant candidates for overcoming efflux-mediated colistin resistance. RSC Medicinal Chemistry.
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Juan Shi, Li‐Xia Zhao, Jia‐Yu Wang, Hai‐Feng Cao, Shuang Gao, Fei Ye & Ying Fu. (2023) Identification of 4‐hydroxyphenylpyruvate dioxygenase inhibitors by virtual screening, molecular docking, molecular dynamic simulation. Journal of the Science of Food and Agriculture 103:11, pages 5547-5559.
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Chia-Wei Weng, Chi-Hsuan Wei, Jeng-Yuan Tsai, Yi-Hua Lai, Gee-Chen Chang & Jeremy J. W. Chen. (2022) Hybrid Pharmacophore- and Structure-Based Virtual Screening Pipeline to Identify Novel EGFR Inhibitors That Suppress Non-Small Cell Lung Cancer Cell Growth. International Journal of Molecular Sciences 23:7, pages 3487.
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P. Castleman, G. Szwabowski, D. Bowman, J. Cole, A.L. Parrill & D.L. Baker. (2022) Ligand-based G Protein Coupled Receptor pharmacophore modeling: Assessing the role of ligand function in model development. Journal of Molecular Graphics and Modelling 111, pages 108107.
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Krishna A. Gajjar & Anuradha K. Gajjar. (2020) Combiphore (Structure and Ligand Based Pharmacophore) - Approach for the Design of GPR40 Modulators in the Management of Diabetes. Current Drug Discovery Technologies 17:2, pages 233-247.
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Andrey V. Markov, Aleksandra V. Sen’kova, Oksana V. Salomatina, Evgeniya B. Logashenko, Dina V. Korchagina, Nariman F. Salakhutdinov & Marina A. Zenkova. (2020) Trioxolone Methyl, a Novel Cyano Enone-Bearing 18βH-Glycyrrhetinic Acid Derivative, Ameliorates Dextran Sulphate Sodium-Induced Colitis in Mice. Molecules 25:10, pages 2406.
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Sugunadevi Sakkiah, Carmine Leggett, Bohu Pan, Wenjing Guo, Luis G. ValerioJr.Jr. & Huixiao Hong. (2020) Development of a Nicotinic Acetylcholine Receptor nAChR α7 Binding Activity Prediction Model. Journal of Chemical Information and Modeling 60:4, pages 2396-2404.
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Jing Xiao, Mi Fang, Yun Shi, Hui Chen, Bingzhen Shen, Jiao Chen, Xingzhen Lao, Hanmei Xu & Heng Zheng. (2015) Identification and Validation Novel of VIM-2 Metallo-β-lactamase Tripeptide Inhibitors. Molecular Informatics 34:8, pages 559-567.
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Sugunadevi Sakkiah, Mahreen Arooj, Keun Woo Lee & Jorge Z. Torres. (2014) Theoretical approaches to identify the potent scaffold for human sirtuin1 activator: Bayesian modeling and density functional theory. Medicinal Chemistry Research 23:9, pages 3998-4010.
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