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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 24, 2009 - Issue 1
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Research Article

Topological descriptors in modelling antimalarial activity: N1-(7-chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine as prototype

Shreekant Deshpande Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226 001, India
,
V. Raja Solomon Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226 001, India
,
Setu B. Katti Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226 001, India
&
Yenamandra S. Prabhakar Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226 001, IndiaCorrespondence[email protected]
Pages 94-104 | Received 16 Aug 2007, Accepted 23 Nov 2007, Published online: 20 Oct 2008

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V. Raja Solomon, W. Haq, Kumkum Srivastava, Sunil K. Puri & S.B. Katti. (2013) Design, synthesis of 4-aminoquinoline-derived thiazolidines and their antimalarial activity and heme polymerization inhibition studies. Journal of Enzyme Inhibition and Medicinal Chemistry 28:3, pages 619-626.
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Kunal Roy & Probir Kumar Ojha. (2010) Advances in quantitative structure–activity relationship models of antimalarials. Expert Opinion on Drug Discovery 5:8, pages 751-778.
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Articles from other publishers (15)

Dominika Kowalska, Anita Sosnowska, Natalia Bulawska, Maciej Stępnik, Harrie Besselink, Peter Behnisch & Tomasz Puzyn. (2023) How the Structure of Per- and Polyfluoroalkyl Substances (PFAS) Influences Their Binding Potency to the Peroxisome Proliferator-Activated and Thyroid Hormone Receptors—An In Silico Screening Study. Molecules 28:2, pages 479.
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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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Savina Savir, Jonathan Wee Kent Liew, Indra Vythilingam, Yvonne Ai Lian Lim, Chun Hoe Tan, Kae Shin Sim, Vannajan Sanghiran Lee, Mohd. Jamil Maah & Kong Wai Tan. (2021) Nickel(II) Complexes with Polyhydroxybenzaldehyde and O,N,S tridentate Thiosemicarbazone ligands: Synthesis, Cytotoxicity, Antimalarial Activity, and Molecular Docking Studies. Journal of Molecular Structure 1242, pages 130815.
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Asrin Bahmani, Hamid Tanzadehpanah, Neda Hosseinpour Moghadam & Massoud Saidijam. (2020) Introducing a pyrazolopyrimidine as a multi-tyrosine kinase inhibitor, using multi-QSAR and docking methods. Molecular Diversity 25:2, pages 949-965.
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Alexandre S. Lawrenson, David L. Cooper, Paul M. O’Neill & Neil G. Berry. (2018) Study of the antimalarial activity of 4-aminoquinoline compounds against chloroquine-sensitive and chloroquine-resistant parasite strains. Journal of Molecular Modeling 24:9.
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Pavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, Dragos Horvath & Alexandre Varnek. (2018) AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis. Molecular Informatics 37:9-10, pages 1800021.
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Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, Uko Maran, Gilles Marcou, Dragos Horvath & Alexandre Varnek. (2017) QSAR modeling and chemical space analysis of antimalarial compounds. Journal of Computer-Aided Molecular Design 31:5, pages 441-451.
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Kondaparla Srinivasarao, Pooja Agarwal, Kumkum Srivastava, W. Haq, Sunil K. Puri & S. B. Katti. (2016) Design, synthesis, and in vitro antiplasmodial activity of 4-aminoquinolines containing modified amino acid conjugates. Medicinal Chemistry Research 25:6, pages 1148-1162.
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Neha Parihar & Sisir Nandi. (2015) In-silico combinatorial design and pharmacophore modeling of potent antimalarial 4-anilinoquinolines utilizing QSAR and computed descriptors. SpringerPlus 4:1.
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Nitendra K. Sahu, Mukesh C. Sharma, Vishnukanth Mourya & D.V. Kohli. (2014) QSAR studies of some side chain modified 7-chloro-4-aminoquinolines as antimalarial agents. Arabian Journal of Chemistry 7:5, pages 701-707.
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Morteza Ghandadi, Ali Shayanfar, Maryam Hamzeh-Mivehroud & Abolghasem Jouyban. (2014) Quantitative structure activity relationship and docking studies of imidazole-based derivatives as P-glycoprotein inhibitors. Medicinal Chemistry Research 23:11, pages 4700-4712.
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Shreekant Deshpande, Mohammad Goodarzi, Seturam B. Katti & Yenamandra S. Prabhakar. (2013) Topological Features in Profiling the Antimalarial Activity Landscape of Anilinoquinolines: A Multipronged QSAR Study. Journal of Chemistry 2013, pages 1-14.
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Omar Deeb, Sherin Alfalah, Matheus P. Freitas, Elaine F. F. da Cunha & Teodorico C. Ramalho. (2012) Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations. Journal of Biophysical Chemistry 03:01, pages 58-71.
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Mohammad Goodarzi, Shreekant Deshpande, Vanangamudi Murugesan, Seturam B. Katti & Yenamandra S. Prabhakar. (2009) Is Feature Selection Essential for ANN Modeling?. QSAR & Combinatorial Science 28:11-12, pages 1487-1499.
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Dominika Jurkiewicz, Anita Sosnowska, Natalia Buławska, Maciej Stępnik, Peter Behnisch, Harrie Besselink & Tomasz Puzyn. (2022) How the Structure of Per- and Polyfluoroalkyl Substances (Pfas) Influences Their Binding Potency to the Peroxisome Proliferator-Activated and Thyroid Hormone Receptors – an in Silico Screening Study. SSRN Electronic Journal.
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