Literature DB >> 24900512

Identification and In-Vitro ADME Assessment of a Series of Novel Anti-Malarial Agents Suitable for Hit-to-Lead Chemistry.

Chris D Edlin1, Garreth Morgans1, Susan Winks1, Sandra Duffy2, Vicky M Avery2, Sergio Wittlin3, David Waterson4, Jeremy Burrows4, Justin Bryans5.   

Abstract

Triage of a set of antimalaria hit compounds, identified through high throughput screening against the Chloroquine sensitive (3D7) and resistant (Dd2) parasite Plasmodium falciparum strains identified several novel chemotypes suitable for hit-to-lead chemistry investigation. The set was further refined through investigation of their in vitro ADME properties, which identified templates with good potential to be developed further as antimalarial agents. One example was profiled in an in vivo murine Plasmodium berghei model of malaria infection.

Entities:  

Keywords:  Plasmodium falciparum; Screening; hit-to-lead chemistry; phenotypic screening

Year:  2012        PMID： 24900512      PMCID： PMC4025777          DOI： 10.1021/ml300091c

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


  8 in total

1.  Ligand efficiency: a useful metric for lead selection.

Authors:  Andrew L Hopkins; Colin R Groom; Alexander Alex
Journal:  Drug Discov Today       Date:  2004-05-15       Impact factor: 7.851

2.  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

3.  When is enough enough? The need for a robust pipeline of high-quality antimalarials.

Authors:  Timothy N Wells; Elizabeth M Poll
Journal:  Discov Med       Date:  2010-05       Impact factor: 2.970

Review 4.  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

5.  Chemical genetics of Plasmodium falciparum.

Authors:  W Armand Guiguemde; Anang A Shelat; David Bouck; Sandra Duffy; Gregory J Crowther; Paul H Davis; David C Smithson; Michele Connelly; Julie Clark; Fangyi Zhu; María B Jiménez-Díaz; María S Martinez; Emily B Wilson; Abhai K Tripathi; Jiri Gut; Elizabeth R Sharlow; Ian Bathurst; Farah El Mazouni; Joseph W Fowble; Isaac Forquer; Paula L McGinley; Steve Castro; Iñigo Angulo-Barturen; Santiago Ferrer; Philip J Rosenthal; Joseph L Derisi; David J Sullivan; John S Lazo; David S Roos; Michael K Riscoe; Margaret A Phillips; Pradipsinh K Rathod; Wesley C Van Voorhis; Vicky M Avery; R Kiplin Guy
Journal:  Nature       Date:  2010-05-20       Impact factor: 49.962

6.  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

7.  Oxidative activation of acylguanidine prodrugs: intestinal presystemic activation in rats limits absorption and can be inhibited by co-administration of ketoconazole.

Authors:  W G Humphreys; M T Obermeier; S Chong; S D Kimball; J Das; P Chen; R Moquin; W-C Han; R Gedamke; R E White; R A Morrison
Journal:  Xenobiotica       Date:  2003-01       Impact factor: 1.908

8.  Development and optimization of a novel 384-well anti-malarial imaging assay validated for high-throughput screening.

Authors:  Sandra Duffy; Vicky M Avery
Journal:  Am J Trop Med Hyg       Date:  2012-01       Impact factor: 2.345
  8 in total
  9 in total

Review 1.  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

2.  Screening the Medicines for Malaria Venture Pathogen Box across Multiple Pathogens Reclassifies Starting Points for Open-Source Drug Discovery.

Authors:  Sandra Duffy; Melissa L Sykes; Amy J Jones; Todd B Shelper; Moana Simpson; Rebecca Lang; Sally-Ann Poulsen; Brad E Sleebs; Vicky M Avery
Journal:  Antimicrob Agents Chemother       Date:  2017-08-24       Impact factor: 5.191

3.  Antiplasmodial dihetarylthioethers target the coenzyme A synthesis pathway in Plasmodium falciparum erythrocytic stages.

Authors:  Thomas Weidner; Leonardo Lucantoni; Abed Nasereddin; Lutz Preu; Peter G Jones; Ron Dzikowski; Vicky M Avery; Conrad Kunick
Journal:  Malar J       Date:  2017-05-15       Impact factor: 2.979

4.  Novel 2-Phenoxyanilide Congeners Derived from a Hit Structure of the TCAMS: Synthesis and Evaluation of Their in Vitro Activity against Plasmodium falciparum.

Authors:  Thomas Weidner; Abed Nasereddin; Lutz Preu; Johann Grünefeld; Ron Dzikowski; Conrad Kunick
Journal:  Molecules       Date:  2016-02-17       Impact factor: 4.411

Review 5.  Pantothenate and CoA biosynthesis in Apicomplexa and their promise as antiparasitic drug targets.

Authors:  Laura E de Vries; Matteo Lunghi; Aarti Krishnan; Taco W A Kooij; Dominique Soldati-Favre
Journal:  PLoS Pathog       Date:  2021-12-30       Impact factor: 6.823

6.  KI-catalyzed oxidative cyclization of α-keto acids and 2-hydrazinopyridines: efficient one-pot synthesis of 1,2,4-triazolo[4,3-a]pyridines.

Authors:  De-Suo Yang; Juan Wang; Peng Gao; Zi-Jing Bai; Dong-Zhu Duan; Ming-Jin Fan
Journal:  RSC Adv       Date:  2018-09-21       Impact factor: 3.361

7.  Computer-Aided and AILDE Approaches to Design Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.

Authors:  Juan Shi; Shuang Gao; Jia-Yu Wang; Tong Ye; Ming-Li Yue; Ying Fu; Fei Ye
Journal:  Int J Mol Sci       Date:  2022-07-15       Impact factor: 6.208

8.  Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives.

Authors:  Kavita Pal; Md Kausar Raza; Jenny Legac; Md Ataur Rahman; Shoaib Manzoor; Philip J Rosenthal; Nasimul Hoda
Journal:  RSC Med Chem       Date:  2021-05-18

Review 9.  Thienopyrimidine: A Promising Scaffold to Access Anti-Infective Agents.

Authors:  Prisca Lagardère; Cyril Fersing; Nicolas Masurier; Vincent Lisowski
Journal:  Pharmaceuticals (Basel)       Date:  2021-12-27
  9 in total

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