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1.
ACS Cent Sci ; 2(10): 687-701, 2016 Oct 26.
Artigo em Inglês | MEDLINE | ID: mdl-27800551

RESUMO

The development of new antimalarial compounds remains a pivotal part of the strategy for malaria elimination. Recent large-scale phenotypic screens have provided a wealth of potential starting points for hit-to-lead campaigns. One such public set is explored, employing an open source research mechanism in which all data and ideas were shared in real time, anyone was able to participate, and patents were not sought. One chemical subseries was found to exhibit oral activity but contained a labile ester that could not be replaced without loss of activity, and the original hit exhibited remarkable sensitivity to minor structural change. A second subseries displayed high potency, including activity within gametocyte and liver stage assays, but at the cost of low solubility. As an open source research project, unexplored avenues are clearly identified and may be explored further by the community; new findings may be cumulatively added to the present work.

2.
Chem Sci ; 6(3): 1614-1629, 2015 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-29308130

RESUMO

Electronic Laboratory Notebooks (ELNs) are progressively replacing traditional paper books in both commercial research establishments and academic institutions. University researchers require specific features from ELNs, given the need to promote cross-institutional collaborative working, to enable the sharing of procedures and results, and to facilitate publication. The LabTrove ELN, which we use as our exemplar, was designed to be researcher-centric (i.e., not only aimed at the individual researcher's basic needs rather than to a specific institutional or subject or disciplinary agenda, but also able to be tailored because it is open source). LabTrove is being used in a heterogeneous set of academic laboratories, for a range of purposes, including analytical chemistry, X-ray studies, drug discovery and a biomaterials project. Researchers use the ELN for recording experiments, preserving data collected, and for project coordination. This perspective article describes the experiences of those researchers from several viewpoints, demonstrating how a web-based open source electronic notebook can meet the diverse needs of academic researchers.

3.
Parasitology ; 141(1): 148-57, 2014 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-23985301

RESUMO

Open science is a new concept for the practice of experimental laboratory-based research, such as drug discovery. The authors have recently gained experience in how to run such projects and here describe some straightforward steps others may wish to take towards more openness in their own research programmes. Existing and inexpensive online tools can solve many challenges, while some psychological barriers to the free sharing of all data and ideas are more substantial.


Assuntos
Revelação/ética , Descoberta de Drogas , Disseminação de Informação/métodos , Software , Anti-Helmínticos/síntese química , Anti-Helmínticos/farmacologia , Antimaláricos/síntese química , Antimaláricos/farmacologia , Humanos , Disseminação de Informação/ética , Internet , Malária/tratamento farmacológico , Malária/parasitologia , Esquistossomose/tratamento farmacológico , Esquistossomose/parasitologia
4.
J Am Chem Soc ; 133(35): 13778-81, 2011 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-21848264

RESUMO

A new strategy for the catalytic enantioselective α-arylation of N-acyloxazolidinones with chiral copper(II)-bisoxazoline complexes and diaryliodonium salts is described. The mild catalytic conditions are operationally simple, produce valuable synthetic building blocks in excellent yields and enantioselectivities, and can be applied to the synthesis of important nonsteroidal anti-inflammatory agents and their analogues.


Assuntos
Compostos de Bifenilo/química , Cobre/química , Hidrocarbonetos Aromáticos/química , Oniocompostos/química , Oxazolidinonas/química , Sais/química , Catálise , Estereoisomerismo
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