Open source drug discovery – A limited tutorial

Robertson, Murray N.; Ylioja, Paul M.; Williamson, Alice; Woelfle, Michael; Robins, Michael; Badiola, Katrina A.; Willis, Paul; Olliaro, Piero; Wells, Timothy N.C.; Todd, Matthew H.

doi:10.1017/s0031182013001121

Cited by 40 publications

(43 citation statements)

References 28 publications

(37 reference statements)

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“…The adoption by industry of pre-competitive models for drug discovery emulates many of these changes and offers opportunities to extend public private interactions into new disease areas. Another interesting growth area has been the emergence of open-source drug discovery where ideas on chemical synthesis can be exchanged on line to accelerate the resolution of problems in chemical synthesis as was successfully demonstrated in separating enantiomers of the antischistosomal drug praziquantel (Robertson et al 2013).…”

Section: T H E C H a N G I N G D R U G D E V E L O P M E N T L A N D mentioning

confidence: 99%

Emerging paradigms in anti-infective drug design

Barrett

Croft

2014

Parasitology

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The need for new drugs to treat microbial infections is pressing. The great progress made in the middle part of the twentieth Century was followed by a period of relative inactivity as the medical needs relating to infectious disease in the wealthier nations receded. Growing realisation that anti-infectives are needed in many parts of the world, to treat neglected diseases as well as to combat the burgeoning risk of resistance to existing drugs, has galvanised a new wave of research into anti-microbial drugs. The transfer of knowledge from the Pharmaceutical industry relating to the importance of understanding how to target drugs successfully within the body, and improved understanding of how pathogens interact with their hosts, is driving a series of new paradigms in anti-infective drug design. Here we provide an overview of those processes as an introduction to a series of articles from experts in this area that emerged from a meeting entitled “Emerging Paradigms in Anti-Infective Drug Design” held in London on the 17th and 18th September 2012. The symposium was organised jointly by British Society for Parasitology (BSP) and the Biological & Medicinal Chemistry sector of the Royal Society of Chemistry (RSC) and held at the London School of Hygiene & Tropical Medicine. The symposium set out to cover all aspects of the identification of new therapeutic modalities for the treatment of neglected and tropical diseases. We aimed to bring together leading scientists from all the disciplines working in this field and cover the pharmacology, medicinal chemistry and drug delivery of potential new medicines. Sessions were held on: “Target diseases and targets for drugs”, “Target based medicinal chemistry”, “Bioavailability and chemistry”, “Targeting intracellular microbes”, “Alternative approaches and models”, and “New anti-infectives – how do we get there?”This symposium was organised by Simon Croft (LSHTM) and Mike Barrett (University of Glasgow) for the BSP, and David Alker (David Alker Associates) and Andrew Stachulski (University of Liverpool) for the Biological & Medicinal Chemistry sector of the RSC.

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Section: T H E C H a N G I N G D R U G D E V E L O P M E N T L A N D mentioning

confidence: 99%

Emerging paradigms in anti-infective drug design

Barrett

Croft

2014

Parasitology

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“…The Creative Commons license covering project content ensures free reuse of all content including for commercial purposes (CC-BY), 50 and uses a free or open source composite technical platform that has recently been reviewed. 51,52 …”

Section: Introductionmentioning

confidence: 99%

Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

et al. 2016

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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.

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“…The current business model of the pharmaceutical industry is unable to meet all medical needs, especially in the areas of neglected and rare diseases. In response, a variety of open source models have been implemented by a variety of organizations [56][57][58] (http://opensourcemalaria.org/; http:// www.osdd.net/) and there has been some recent discussion regarding the viability of such an open source business model expansion beyond the area of neglected diseases [59,60] (http:// www.opensourcepharma.net/). An interesting approach for drug development is the crowdsourcing of clinical trial design [61,62].…”

Section: Concluding Remarks and Discussionmentioning

confidence: 99%