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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 27, 2012 - Issue 4
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Research Article

Pharmacophore generation and atom-based 3D-QSAR of novel quinoline-3-carbonitrile derivatives as Tpl2 kinase inhibitors

Mahesh Kumar TeliSchool of Biotechnology, National Institute of Technology Calicut, Calicut, India
&
G. K. RajanikantSchool of Biotechnology, National Institute of Technology Calicut, Calicut, IndiaCorrespondence[email protected]
Pages 558-570 | Received 08 Feb 2011, Accepted 27 Jun 2011, Published online: 18 Aug 2011

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Shubham Dhiman, Moumita Saha, Amena Ali, Abuzer Ali, G. D Gupta & Vivek Asati. (2023) Structural aspects of triazole derivatives as HSP90 inhibitors for the treatment of cancer: in silico studies. Journal of Biomolecular Structure and Dynamics 41:10, pages 4756-4769.
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Bhumi M. Shah, Palmi Modi & Priti Trivedi. (2021) Pharmacophore- based virtual screening, 3D- QSAR, molecular docking approach for identification of potential dipeptidyl peptidase IV inhibitors. Journal of Biomolecular Structure and Dynamics 39:6, pages 2021-2043.
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Mahesh Kumar Teli, Surendra Kumar, Dharmendra Kumar Yadav & Mi-hyun Kim. (2021) In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor. Journal of Biomolecular Structure and Dynamics 39:2, pages 703-717.
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Fotis Asimakopoulos, Jaehyup Kim, Ryan A. Denu, Chelsea Hope, Jeffrey L. Jensen, Samuel J. Ollar, Ellen Hebron, Claire Flanagan, Natalie Callander & Peiman Hematti. (2013) Macrophages in multiple myeloma: emerging concepts and therapeutic implications. Leukemia & Lymphoma 54:10, pages 2112-2121.
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Articles from other publishers (12)

Sudhir Reddy Peddi, Ramalingam Kundenapally, Sree Kanth Sivan, Gururaj Somadi & Vijjulatha Manga. (2022) A pragmatic pharmacophore informatics strategy to discover new potent inhibitors against pim-3. Structural Chemistry 33:6, pages 2003-2021.
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Sushanta Bhattacharya, Vivek Asati, Amena Ali, Abuzer Ali & G.D. Gupta. (2022) In-silico studies for the development of novel RET inhibitors for cancer treatment. Journal of Molecular Structure 1251, pages 132040.
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Achal Mishra, Vibhu Jha & Harish Rajak. (2022) Molecular structural investigations of quinoxaline derivatives through 3D-QSAR, molecular docking, ADME prediction and pharmacophore modeling studies for the search of novel antimalarial agent. Journal of the Indian Chemical Society 99:2, pages 100343.
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Xiaojiao Luo, Yu Zhao, Pan Tang, Xingkai Du, Feng Li, Qingying Wang, Rong Li & Jun He. (2020) Discovery of new small-molecule cyclin-dependent kinase 6 inhibitors through computational approaches. Molecular Diversity 25:1, pages 367-382.
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Zarko Gagic, Dusan Ruzic, Nemanja Djokovic, Teodora Djikic & Katarina Nikolic. (2020) In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs. Frontiers in Chemistry 7.
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Radhika Vangala, Sree Kanth Sivan, Saikiran Reddy Peddi & Vijjulatha Manga. (2019) Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120. Journal of Computer-Aided Molecular Design 34:1, pages 39-54.
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Preeti Patel, Vijay K. Patel, Avineesh Singh, Talha Jawaid, Mehnaz Kamal & Harish Rajak. (2019) Identification of Hydroxamic Acid Based Selective HDAC1 Inhibitors: Computer Aided Drug Design Studies. Current Computer-Aided Drug Design 15:2, pages 145-166.
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Nivya James & K. Ramanathan. (2018) Ligand-Based Pharmacophore Screening Strategy: a Pragmatic Approach for Targeting HER Proteins. Applied Biochemistry and Biotechnology 186:1, pages 85-108.
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Preeti Patel & Harish Rajak. (2018) Development of hydroxamic acid derivatives as anticancer agent with the application of 3D-QSAR, docking and molecular dynamics simulations studies. Medicinal Chemistry Research 27:9, pages 2100-2115.
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Nivya James, V. Shanthi & K. Ramanathan. (2017) Drug Design for ALK-Positive NSCLC: an Integrated Pharmacophore-Based 3D QSAR and Virtual Screening Strategy. Applied Biochemistry and Biotechnology 185:1, pages 289-315.
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Mahesh Kumar Teli & Rajanikant G. K.. (2013) Computational Repositioning and Experimental Validation of Approved Drugs for HIF-Prolyl Hydroxylase Inhibition. Journal of Chemical Information and Modeling 53:7, pages 1818-1824.
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Syam B. Nair, Mahesh Kumar Teli, H. Pradeep & G.K. Rajanikant. (2012) Computational identification of novel histone deacetylase inhibitors by docking based QSAR. Computers in Biology and Medicine 42:6, pages 697-705.
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