Literature DB >> 24900261

An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS.

Félix Calderón1, David Barros1, José María Bueno1, José Miguel Coterón1, Esther Fernández1, Francisco Javier Gamo1, José Luís Lavandera1, María Luisa León1, Simon J F Macdonald2, Araceli Mallo1, Pilar Manzano1, Esther Porras1, José María Fiandor1, Julia Castro1.   

Abstract

In 2010, GlaxoSmithKline published the structures of 13533 chemical starting points for antimalarial lead identification. By using an agglomerative structural clustering technique followed by computational filters such as antimalarial activity, physicochemical properties, and dissimilarity to known antimalarial structures, we have identified 47 starting points for lead optimization. Their structures are provided. We invite potential collaborators to work with us to discover new clinical candidates.

Entities:  

Keywords:  Malaria; TCAMS; lead optimization; open innovation

Year:  2011        PMID： 24900261      PMCID： PMC4018116          DOI： 10.1021/ml200135p

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  14 in total

Review 1.  The influence of drug-like concepts on decision-making in medicinal chemistry.

Authors:  Paul D Leeson; Brian Springthorpe
Journal:  Nat Rev Drug Discov       Date:  2007-11       Impact factor: 84.694

Review 2.  Drugging the Plasmodium kinome: the benefits of academia-industry synergy.

Authors:  Didier Leroy; Christian Doerig
Journal:  Trends Pharmacol Sci       Date:  2008-04-18       Impact factor: 14.819

3.  Thousands of chemical starting points for antimalarial lead identification.

Authors:  Francisco-Javier Gamo; Laura M Sanz; Jaume Vidal; Cristina de Cozar; Emilio Alvarez; Jose-Luis Lavandera; Dana E Vanderwall; Darren V S Green; Vinod Kumar; Samiul Hasan; James R Brown; Catherine E Peishoff; Lon R Cardon; Jose F Garcia-Bustos
Journal:  Nature       Date:  2010-05-20       Impact factor: 49.962

4.  Extracting SAR Information from a Large Collection of Anti-Malarial Screening Hits by NSG-SPT Analysis.

Authors:  Mathias Wawer; Jürgen Bajorath
Journal:  ACS Med Chem Lett       Date:  2011-01-05       Impact factor: 4.345

5.  Discovery of potent small-molecule inhibitors of multidrug-resistant Plasmodium falciparum using a novel miniaturized high-throughput luciferase-based assay.

Authors:  Edinson Lucumi; Claire Darling; Hyunil Jo; Andrew D Napper; Rajesh Chandramohanadas; Nicholas Fisher; Alison E Shone; Huiyan Jing; Stephen A Ward; Giancarlo A Biagini; William F DeGrado; Scott L Diamond; Doron C Greenbaum
Journal:  Antimicrob Agents Chemother       Date:  2010-06-14       Impact factor: 5.191

6.  β-Branched acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.

Authors:  Beatriz Baragaña; Orla McCarthy; Paula Sánchez; Cristina Bosch-Navarrete; Marcel Kaiser; Reto Brun; Jean L Whittingham; Shirley M Roberts; Xiao-Xiong Zhou; Keith S Wilson; Nils Gunnar Johansson; Dolores González-Pacanowska; Ian H Gilbert
Journal:  Bioorg Med Chem       Date:  2011-02-17       Impact factor: 3.641

Review 7.  Malaria: progress, perils, and prospects for eradication.

Authors:  Brian M Greenwood; David A Fidock; Dennis E Kyle; Stefan H I Kappe; Pedro L Alonso; Frank H Collins; Patrick E Duffy
Journal:  J Clin Invest       Date:  2008-04       Impact factor: 14.808

8.  In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.

Authors:  David Plouffe; Achim Brinker; Case McNamara; Kerstin Henson; Nobutaka Kato; Kelli Kuhen; Advait Nagle; Francisco Adrián; Jason T Matzen; Paul Anderson; Tae-Gyu Nam; Nathanael S Gray; Arnab Chatterjee; Jeff Janes; S Frank Yan; Richard Trager; Jeremy S Caldwell; Peter G Schultz; Yingyao Zhou; Elizabeth A Winzeler
Journal:  Proc Natl Acad Sci U S A       Date:  2008-06-25       Impact factor: 11.205

9.  Genome sequence of the human malaria parasite Plasmodium falciparum.

Authors:  Malcolm J Gardner; Neil Hall; Eula Fung; Owen White; Matthew Berriman; Richard W Hyman; Jane M Carlton; Arnab Pain; Karen E Nelson; Sharen Bowman; Ian T Paulsen; Keith James; Jonathan A Eisen; Kim Rutherford; Steven L Salzberg; Alister Craig; Sue Kyes; Man-Suen Chan; Vishvanath Nene; Shamira J Shallom; Bernard Suh; Jeremy Peterson; Sam Angiuoli; Mihaela Pertea; Jonathan Allen; Jeremy Selengut; Daniel Haft; Michael W Mather; Akhil B Vaidya; David M A Martin; Alan H Fairlamb; Martin J Fraunholz; David S Roos; Stuart A Ralph; Geoffrey I McFadden; Leda M Cummings; G Mani Subramanian; Chris Mungall; J Craig Venter; Daniel J Carucci; Stephen L Hoffman; Chris Newbold; Ronald W Davis; Claire M Fraser; Bart Barrell
Journal:  Nature       Date:  2002-10-03       Impact factor: 49.962

10.  Public - private 'partnerships' in health - a global call to action.

Authors:  Sania Nishtar
Journal:  Health Res Policy Syst       Date:  2004-07-28
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  21 in total

1.  Synthesis and Pharmacological Evaluation of 4-Iminothiazolidinones for Inhibition of PI3 Kinase.

Authors:  Jo-Anne Pinson; Oleg Schmidt-Kittler; Mark Frazzetto; Zhaohua Zheng; Ian G Jennings; Kenneth W Kinzler; Bert Vogelstein; David K Chalmers; Philip E Thompson
Journal:  Aust J Chem       Date:  2012-01-10       Impact factor: 1.321

Review 2.  Global phenotypic screening for antimalarials.

Authors:  W Armand Guiguemde; Anang A Shelat; Jose F Garcia-Bustos; Thierry T Diagana; Francisco-Javier Gamo; R Kiplin Guy
Journal:  Chem Biol       Date:  2012-01-27

3.  Case Study of Small Molecules As Antimalarials: 2-Amino-1-phenylethanol (APE) Derivatives.

Authors:  María J Chaparro; Jaume Vidal; Iñigo Angulo-Barturen; José M Bueno; Jeremy Burrows; Nicholas Cammack; Pablo Castañeda; Gonzalo Colmenarejo; José M Coterón; Laura de Las Heras; Esther Fernández; Santiago Ferrer; Raquel Gabarró; Francisco J Gamo; Mercedes García; María B Jiménez-Díaz; María J Lafuente; María L León; María S Martínez; Douglas Minick; Sara Prats; Margarita Puente; Lourdes Rueda; Elena Sandoval; Angel Santos-Villarejo; Michael Witty; Félix Calderón
Journal:  ACS Med Chem Lett       Date:  2014-03-26       Impact factor: 4.345

4.  A Divergent SAR Study Allows Optimization of a Potent 5-HT2c Inhibitor to a Promising Antimalarial Scaffold.

Authors:  Félix Calderón; Jaume Vidal-Mas; Jeremy Burrows; Juan Carlos de la Rosa; María Belén Jiménez-Díaz; Teresa Mulet; Sara Prats; Jorge Solana; Michael Witty; Francisco Javier Gamo; Esther Fernández
Journal:  ACS Med Chem Lett       Date:  2012-02-09       Impact factor: 4.345

5.  Evaluation of aminohydantoins as a novel class of antimalarial agents.

Authors:  Marvin J Meyers; Micky D Tortorella; Jing Xu; Limei Qin; Zhengxiang He; Xingfen Lang; Wentian Zeng; Wanwan Xu; Li Qin; Michael J Prinsen; Francis M Sverdrup; Christopher S Eickhoff; David W Griggs; Jonathan Oliva; Peter G Ruminski; E Jon Jacobsen; Mary A Campbell; David C Wood; Daniel E Goldberg; Xiaorong Liu; Yongzhi Lu; Xin Lu; Zhengchao Tu; Xiaoyun Lu; Ke Ding; Xiaoping Chen
Journal:  ACS Med Chem Lett       Date:  2013-12-06       Impact factor: 4.345

6.  4-Aryl Pyrrolidines as a Novel Class of Orally Efficacious Antimalarial Agents. Part 1: Evaluation of 4-Aryl- N-benzylpyrrolidine-3-carboxamides.

Authors:  Marvin J Meyers; Jianguang Liu; Jing Xu; Fang Leng; Jiantong Guan; Zhijun Liu; Sarah A McNitt; Limei Qin; Linglin Dai; Hongwei Ma; Dickson Adah; Siting Zhao; Xiaofen Li; Alex J Polino; Armiyaw S Nasamu; Daniel E Goldberg; Xiaorong Liu; Yongzhi Lu; Zhengchao Tu; Xiaoping Chen; Micky D Tortorella
Journal:  J Med Chem       Date:  2019-03-22       Impact factor: 7.446

7.  Cyclopropyl Carboxamides: A New Oral Antimalarial Series Derived from the Tres Cantos Anti-Malarial Set (TCAMS).

Authors:  Lourdes Rueda; Isabel Castellote; Julia Castro-Pichel; Maria J Chaparro; Juan Carlos de la Rosa; Adolfo Garcia-Perez; Mariola Gordo; Maria Belen Jimenez-Diaz; Albane Kessler; Simon J F Macdonald; Maria Santos Martinez; Laura M Sanz; Francisco Javier Gamo; Esther Fernandez
Journal:  ACS Med Chem Lett       Date:  2011-08-29       Impact factor: 4.345

Review 8.  Antimalarial drug discovery - approaches and progress towards new medicines.

Authors:  Erika L Flannery; Arnab K Chatterjee; Elizabeth A Winzeler
Journal:  Nat Rev Microbiol       Date:  2013-11-11       Impact factor: 60.633

Review 9.  Recent advances in malaria drug discovery.

Authors:  Marco A Biamonte; Jutta Wanner; Karine G Le Roch
Journal:  Bioorg Med Chem Lett       Date:  2013-03-27       Impact factor: 2.823

10.  Plasmepsin inhibitory activity and structure-guided optimization of a potent hydroxyethylamine-based antimalarial hit.

Authors:  Kristaps Jaudzems; Kaspars Tars; Gundars Maurops; Natalija Ivdra; Martins Otikovs; Janis Leitans; Iveta Kanepe-Lapsa; Ilona Domraceva; Ilze Mutule; Peteris Trapencieris; Michael J Blackman; Aigars Jirgensons
Journal:  ACS Med Chem Lett       Date:  2014-01-13       Impact factor: 4.345
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