UvA-DARE (Digital Academic Repository) When fragments link: A bibliometric perspective on the development of fragment-based drug discovery Romasanta, A.K.S.; van der Sijde, P.; Hellsten, I.; Hubbard, R.E.; Keseru, G.M.; van Muilwijk- Koezen, J.; de Esch, I.J.P. DOI 10.1016/j.drudis.2018.05.004 Publication date 2018 Document Version Final published version Published in Drug discovery today License CC BY Link to publication Citation for published version (APA): Romasanta, A. K. S., van der Sijde, P., Hellsten, I., Hubbard, R. E., Keseru, G. M., van Muilwijk-Koezen, J., & de Esch, I. J. P. (2018). When fragments link: A bibliometric perspective on the development of fragment-based drug discovery. 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UvA-DARE is a service provided by the library of the University of Amsterdam (https://dare.uva.nl) Download date:02 Oct 2021 REVIEWS Drug Discovery Today Volume 23, Number 9 September 2018 Teaser We study the organizational aspects of the development of fragment-based drug discovery (FBDD), using tools from bibliometrics. Reviews KEYNOTE REVIEW When fragments link: a bibliometric perspective on the development of fragment-based drug discovery 1,2 1 Angelo K.S. Romasanta is Angelo K.S. Romasanta , Peter van der Sijde , an early-stage researcher at the 3 4,5 6 Marie Curie ITN FragNet based at the Chemistry & Iina Hellsten , Roderick E. Hubbard , Gyorgy M. Keseru , 2 2 Pharmaceutical Sciences Department at VU University Jacqueline van Muijlwijk-Koezen and Iwan J.P. de Esch Amsterdam. Within the division of Science, Business 1 Department of Science, Business & Innovation, Faculty of Science, VU University Amsterdam, De Boelelaan 1105, and Innovation, he is studying how companies in the pharmaceutical industry absorb and 1081 HV Amsterdam, The Netherlands 2 apply external knowledge from academia and other firms. He is Amsterdam Institute of Molecules, Medicines and Systems (AIMMS), Division of Medicinal Chemistry, VU a graduate of the Erasmus Mundus Master in Chemical University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands Innovation and Regulation Program under the consortium of 3 the University of Barcelona, University of Algarve, and Amsterdam School of Communication Research (ASCoR), University of Amsterdam, Nieuwe Achtergracht 166, University of Bologna. 1018 WV Amsterdam, The Netherlands 4 Peter van der Sijde is a Vernalis Research, Granta Park, Abington, Cambridge CB21 6GB, UK 5 professor of organization, York Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, UK entrepreneurship & technology 6 Research Centre for Natural Sciences, Hungarian Academy of Sciences, 1117 Budapest, Magyar Tudósok Körútja in the Department of Science, Business & Innovation at VU 2, P. O. Box 17, Budapest 1525, Hungary University Amsterdam, and has a background in social sciences. His research and teaching is Fragment-based drug discovery (FBDD) is a highly interdisciplinary field, focused on (academic) entrepreneurship and technology transfer. rich in ideas integrated from pharmaceutical sciences, chemistry, biology, Iina Hellsten is an associate and physics, among others. To enrich our understanding of the professor in social sciences at the Amsterdam School of development of the field, we used bibliometric techniques to analyze 3642 Communication Research (ASCoR) at the University of publications in FBDD, complementing accounts by key practitioners. Amsterdam. She has expertise in communication networks, Mapping its core papers, we found the transfer of knowledge from science and technology studies (STS), and scientometrics. academia to industry. Co-authorship analysis showed that university– Jacqueline E. van Muijlwijk- industry collaboration has grown over time. Moreover, we show how ideas Koezen is a professor in innovation in human health and from other scientific disciplines have been integrated into the FBDD life sciences at VU University Amsterdam. Her group aims to paradigm. Keyword analysis showed that the field is organized into four apply the theory of science education within the context of interconnected practices: library design, fragment screening, human health and life sciences. computational methods, and optimization. This study highlights the Her research focuses on innovations and didactics in science importance of interactions among various individuals and institutions and education, with special emphasis in pharmaceutical sciences and drug discovery research as embedded within the from diverse disciplines in newly emerging scientific fields. Amsterdam Institute for Molecules, Medicines and Systems. Research on new teaching concepts and innovative learning approaches lead to new insights that are implemented in the various study programs of the Faculty of Science. Introduction Iwan J P. de Esch is a professor in medicinal chemistry at VU University FBDD is a widely adopted approach to lead discovery [1,2]. The origin of the field can be traced Amsterdam and head of the back to its first demonstration 20 years ago at Abbott Laboratories by Shuker et al. [3]. The Chemistry & Pharmaceutical Sciences Department. His work historical development of FBDD has been discussed as anecdotes, for example during lectures at focuses on two research lines: various conferences [4] and in scientific publications [5,6]. The technical aspects of the approach G-protein-coupled receptors and fragment-based drug discovery (FBDD). He has co-founded several academic spin- out companies, including De Novo Pharmaceuticals, Griffin Discoveries, and IOTA Pharmaceuticals. Corresponding author: de Esch, Iwan J.P. ([email protected]) 1359-6446/ã 2018 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). 1596 www.drugdiscoverytoday.com https://doi.org/10.1016/j.drudis.2018.05.004 Drug Discovery Today Volume 23, Number 9 September 2018 REVIEWS have also been described in key reviews [7–10]. Still, there are Bibliometric methods insights to be learned by systematically studying how the field has The papers analyzed in this study were downloaded from Thom- developed. In this paper, we look at the organizational and social son-Reuter’s Web of Science (WOS). To collect an initial set of aspects of the development of FBDD by analyzing scientific pub- papers in the field of FBDD, keywords (Fig. 1) were used. The lications that describe new developments in the FBDD field and keyword search generated 3208 papers. To ensure that the keyword the references that are provided in those publications. To analyze ‘fragment’ was used to refer to the field, we looked at the abstract, these records, we used bibliometrics, an approach in information title, and keyword fields of the publications and tallied the phrases sciences to analyze the relationship among written publications. that co-occurred the most with ‘fragment.’ We removed the Previously, technological breakthroughs resulted from scien- combinations that were unrelated to the field, resulting in a data tists working together at the interface of diverse disciplines, recom- set of 2781 papers. To verify whether these papers were represen- bining knowledge from various fields [11]. The emergence of FBDD tative of FBDD, we inspected the data set and found that key can be seen as various scientific fields coming together, including publications in the field were not captured by the keywords used in KEYNOTE REVIEW computational methods, molecular biology, biophysics, and me- the preliminary search. Examples include Hopkins’s paper on dicinal chemistry. With pharmaceutical sciences being more mul- ligand efficiency [16] and Hann’s paper on molecular complexity tidisciplinary and the pharmaceutical industry seeking more [17], because these do not mention any of the keywords used Reviews collaborations, especially in preclinical development [12–14], it (Fig. 1). Thus, an additional data collection step was performed. is appealing to investigate the drivers that have made FBDD so Using the first set of papers, we checked for their most-cited successful. With the increasing interest in how organizational references. Analyzing the references, we identified 861 additional factors can enable drug discovery [15], we seek to understand publications that were cited at least ten times. This list contained the roles of various groups from industry and academia in the some publications that might not be directly related to FBDD rise of FBDD. By tracing how each publication from academia and development but nevertheless helped to shape the field. An exam- industry influenced the field, we can better understand the role of ple is the many