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Journal of Biomolecular Structure and Dynamics Volume 29, 2011 - Issue 1
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Original Articles

Docking Studies on the Binding of Quinoline Derivatives and Hematin to Plasmodium Falciparum Lactate Dehydrogenase

Wilian A. Cortopassi Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, CEP 22290–270, Rio de Janeiro, RJ, Brazil; Department of Chemistry, Pontifical Catholic University of Rio de Janeiro, Rua Marquês de São Vicente 225, CEP 22453–900, Rio de Janeiro, RJ, Brazil
,
Aline A. Oliveira Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, CEP 22290–270, Rio de Janeiro, RJ, Brazil
,
Ana P. Guimarães Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, CEP 22290–270, Rio de Janeiro, RJ, Brazil
,
Magdalena N. Rennó Pharmacy Course—Federal University of Rio de Janeiro-UFRJ, Campus Macaé, CEP 27930–560, Macaé, RJ, Brazil
,
Antoniana U. Krettli Laboratory of Malaria, Institute René Rachou, Fundação Oswaldo Cruz (FIOCRUZ-MG), Av. Augusto de Lima 1715, CEP 30190–002, Belo Horizonte, MG, Brazil
&
Tanos C.C. França Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, CEP 22290–270, Rio de Janeiro, RJ, Brazil
Pages 207-218 | Received 16 Aug 2010, Published online: 15 May 2012

Citations (14)

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Read on this site (4)

Wilian Augusto Cortopassi, Tanos Celmar Costa Franca & Antoniana Ursine Krettli. (2018) A systems biology approach to antimalarial drug discovery. Expert Opinion on Drug Discovery 13:7, pages 617-626.
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Mahalakshmi Thillainayagam, Lavanya Pandian, Kumar Kalavathy Murugan, Vijayakumar Vijayaparthasarathi, Sarveswari Sundaramoorthy, Anand Anbarasu & Sudha Ramaiah. (2015) In silico analysis reveals the anti-malarial potential of quinolinyl chalcone derivatives. Journal of Biomolecular Structure and Dynamics 33:5, pages 961-977.
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Namrata Misra, Mahesh Chandra Patra, Prasanna Kumar Panda, Lala Bihari Sukla & Barada Kanta Mishra. (2013) Homology modeling and docking studies of FabH (β-ketoacyl-ACP synthase III) enzyme involved in type II fatty acid biosynthesis of Chlorella variabilis: a potential algal feedstock for biofuel production. Journal of Biomolecular Structure and Dynamics 31:3, pages 241-257.
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Kuan-Chung Chen, Su-Sen Chang, Hung-Jin Huang, Tu-Liang Lin, Yong-Jiang Wu & Calvin Yu-Chian Chen. (2012) Three-in-one agonists for PPAR-α, PPAR-γ, and PPAR-δ from traditional Chinese medicine. Journal of Biomolecular Structure and Dynamics 30:6, pages 662-683.
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Articles from other publishers (10)

Vitória de Souza Fernandes, Rafael da Rosa, Lara A. Zimmermann, Kamilla R. Rogério, Arthur E. Kümmerle, Lilian S. C. Bernardes & Cedric S. Graebin. (2021) Antiprotozoal agents: How have they changed over a decade?. Archiv der Pharmazie 355:2.
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Francis Kayamba, Mbuso Faya, Ofentse Jacob Pooe, Babita Kushwaha, Narva Deshwar Kushwaha, Vincent A. Obakachi, Vincent O. Nyamori & Rajshekhar Karpoormath. (2021) Lactate dehydrogenase and malate dehydrogenase: Potential antiparasitic targets for drug development studies. Bioorganic & Medicinal Chemistry 50, pages 116458.
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Letícia C. Assis, Alexandre A. de Castro, João P. A. de Jesus, Eugenie Nepovimova, Kamil Kuca, Teodorico C. Ramalho & Felipe A. La Porta. (2021) Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infection. Scientific Reports 11:1.
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Giuseppina Laganá, Davide Barreca, Antonella Calderaro & Ersilia Bellocco. (2019) Lactate Dehydrogenase Inhibition: Biochemical Relevance and Therapeutical Potential. Current Medicinal Chemistry 26:18, pages 3242-3252.
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Anna C.C. Aguiar, Erika Murce, Wilian A. Cortopassi, Andre S. Pimentel, Maria M.F.S. Almeida, Daniele C.S. Barros, Jéssica S. Guedes, Mario R. Meneghetti & Antoniana U. Krettli. (2018) Chloroquine analogs as antimalarial candidates with potent in vitro and in vivo activity. International Journal for Parasitology: Drugs and Drug Resistance 8:3, pages 459-464.
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A. Parthiban, J. Muthukumaran, Ashan Manhas, Kumkum Srivastava, R. Krishna & H. Surya Prakash Rao. (2015) Synthesis, in vitro and in silico antimalarial activity of 7-chloroquinoline and 4H-chromene conjugates. Bioorganic & Medicinal Chemistry Letters 25:20, pages 4657-4663.
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Md. Mushtaque & Shahjahan. (2015) Reemergence of chloroquine (CQ) analogs as multi-targeting antimalarial agents: A review. European Journal of Medicinal Chemistry 90, pages 280-295.
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Nicolli B de Souza, Arturene ML Carmo, Adilson D da Silva, Tanos CC França & Antoniana U Krettli. (2014) Antiplasmodial activity of chloroquine analogs against chloroquine-resistant parasites, docking studies and mechanisms of drug action. Malaria Journal 13:1.
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Diogo de Jesus Medeiros, Wilian Augusto Cortopassi, Tanos Celmar Costa França & André Silva Pimentel. (2013) ITP Adjuster 1.0: A New Utility Program to Adjust Charges in the Topology Files Generated by the PRODRG Server. Journal of Chemistry 2013, pages 1-6.
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Anna Caroline Campos Aguiar, Raquel de Meneses Santos, Flávio Júnior Barbosa Figueiredo, Wilian Augusto Cortopassi, André Silva Pimentel, Tanos Celmar Costa França, Mario Roberto Meneghetti & Antoniana Ursine Krettli. (2012) Antimalarial Activity and Mechanisms of Action of Two Novel 4-Aminoquinolines against Chloroquine-Resistant Parasites. PLoS ONE 7:5, pages e37259.
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