WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates

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Programme: COST ACTION CA21111 - OneHealthdrugs (One Health drugs against parasitic vector borne diseases in Europe and beyond)

SEEK ID: https://fairdomhub.org/projects/310

Public web page: Not specified

Organisms: No Organisms specified

FAIRDOM PALs: No PALs for this Project

Project created: 24th Oct 2022

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Guy Caljon

Projects: WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates

Institutions: Universiteit Antwerpen

https://orcid.org/0000-0002-4870-3202

Maria Alice Carvalho

Projects: WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates

Institutions: Universidade do Minho

https://orcid.org/0000-0002-8666-0362

Katarzyna Gozdzik

Projects: WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates, WG5 - Promote dissemination

Institutions: University of Warsaw

https://orcid.org/0000-0002-7051-9524

Florence McCarthy

Projects: WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates

Institutions: University College Cork

https://orcid.org/0000-0001-5837-1638

Paul NGUEWA

Projects: WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates

Institutions: University of Navarra

Ioannis Papanastasiou

Projects: WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates, WG2 - Integration of early phase studies and low environmental impact actions

Institutions: NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS

https://orcid.org/0000-0001-6974-2561

Ulrike Wittig

Projects: de.NBI-SysBio, Kinetics on the move - Workshop 2016, Example use cases, SBEpo - Systems Biology of Erythropoietin, FAIRDOM & LiSyM & de.NBI Data Structuring Training, FAIRDOM, EnzymeML, GMDS Project Group "FAIRe Dateninfrastrukturen für die Biomedizinische Informatik", FAIRDOM Community Workers, MIX-UP, COVID-19 Disease Map, ERNEST Mapping Group Pilot Study, NMTrypI - New Medicines for Trypanosomatidic Infections, Standardization of enzyme-catalyzed reaction measurement, Standardization of enzyme-catalyzed reaction modelling, ModeleXchange initiative, CoVIDD - Coronavirus interactions in drug discovery - optimization and implementation, Mass spectrometry proteomics for biomarker discovery, Thymidylate synthase dimer dissociation, WG1 - Compound libraries coordination and integration of compound design, WG2 - Integration of early phase studies and low environmental impact actions, WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates, WG4 - Integration of R&D process-environmental studies and translation in informed whitepaper, WG5 - Promote dissemination, WG6 - Promote the transfer of knowledge, SABIO-VIS, SDBV/HITS, BioTarget Database, Compound Data

Institutions: Heidelberg Institute for Theoretical Studies

https://orcid.org/0000-0002-9077-5664

Expertise: Biochemistry, Databases, Data Management, Curation

Tools: SABIO-RK, SEEK

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COST ACTION CA21111 - OneHealthdrugs (One Health drugs against parasitic vector borne diseases in Europe and beyond)

The recent COVID19 pandemic infection has undisclosed long-standing issues in the translation of drugs from animals to humans or vice-versa. Nearly 75% of emerging human infections worldwide originated from animals; existing drugs for human and animal (H&A) vector-borne diseases (VBD) are scarce, with limited efficacy, toxicity, and finite resources. Emerging environmental problems in pharmaceutical use/manufacturing increase attention in the field. The two drug pipelines are developed ...

Projects: WG1 - Compound libraries coordination and integration of compound design, WG2 - Integration of early phase studies and low environmental impact actions, WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates, WG4 - Integration of R&D process-environmental studies and translation in informed whitepaper, WG5 - Promote dissemination, WG6 - Promote the transfer of knowledge, BioTarget Database, Compound Data

Web page: https://onehealthdrugs.com/

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Heidelberg Institute for Theoretical Studies

ROR ID: https://ror.org/01f7bcy98

Department: Not specified

Country: Germany

City: Heidelberg

Web page: https://www.h-its.org

NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS

ROR ID: Not specified

Department: Not specified

Country: Greece

City: ATHENS

Web page: https://www.uoa.gr

Universidade do Minho

ROR ID: Not specified

Department: Not specified

Country: Portugal

City: Not specified

Web page: Not specified

Universiteit Antwerpen

ROR ID: Not specified

Department: Not specified

Country: Belgium

City: Antwerp

Web page: https://www.uantwerpen.be/en/

University College Cork

ROR ID: Not specified

Department: Not specified

Country: Ireland

City: Cork

Web page: https://www.ucc.ie/en/

University of Navarra

ROR ID: Not specified

Department: Not specified

Country: Not specified

City: Not specified

Web page: Not specified

University of Warsaw

ROR ID: Not specified

Department: Not specified

Country: Poland

City: Warsaw

Web page: https://en.uw.edu.pl/

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Showing 20 out of a possible 92 Publications Advanced Publications list for this Project with search and filtering

The Drug Design & Development Seminar 2026: joining forces with the European Cost Action ‘OneHealthDrugs’

WG1 - Compound libraries coordination and integration of compound design, WG2 - Integration of early phase studies and low environmental impact actions, WG3 - Coordination of in vitro-to-in vivo translation of OneHealth leads and candidates, WG4 - Integration of R&D process-environmental studies and translation in informed whitepaper

Abstract

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Authors: Simone Haeberlein, Christoph G. Grevelding, Franco H. Falcone, Paul M. Selzer

Date Published: 1st Jul 2026

Publication Type: Journal Article

DOI: 10.1016/j.pt.2026.05.002

Citation: Trends in Parasitology 42(7):553-561.

Created: 14th Jul 2026 at 08:45

Synthesis and Evaluation of Nitroheterocyclic Aromatic Adamantanohydrazones with Trypanocidal Activity. Part III

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Abstract

Not specified

Authors: Angeliki-Sofia Foscolos, Konstantina Stavropoulou, Nuno Santarém, Anabela Cordeiro da Silva, Martin C. Taylor, Theodora Calogeropoulou, Andrew Tsotinis, Ioannis P. Papanastasiou, John M. Kelly, Susan Wyllie

Date Published: 17th Jun 2026

Publication Type: Journal Article

DOI: 10.1021/acsinfecdis.6c00201

Citation: ACS Infect. Dis. 12(7):2175-2180.

Created: 14th Jul 2026 at 08:51

Synthesis of Methoxylated Benzoxanthones as Drug Metabolites of Antischistosomal Schistodiones—A Limited Environmental Risk

Abstract (Expand)

In the search for new antischistosomal 3-benzylmenadiones (benzylMDs), the screening of a library developed in our laboratory led to the identification of two regioisomeric analogues, the 2′,5′- and … 3′,5′-dimethoxy-benzylMD—designated schistodiones A2′,5′ and A3′,5′—which were investigated for their activity against the platyhelminth Schistosoma mansoni and various protozoan parasites, bacteria, and fungi. Reported work has shown that benzylMDs act as prodrugs: their bioactivation undergoes a cascade of redox reactions within the parasite, generating multiple drug metabolites, e.g., the main benzoylmenadione (benzoylMD) intermediates, and reactive oxygen species that interfere with key metabolic pathways. Among the secondary metabolites, benzoxanthones have been identified as potential products generated along this oxidative pathway. The aim of the study was to synthetize methoxylated benzoxanthones, as putative metabolites generated from these antischistosomal benzylMDs. During the synthetic work, several difficulties arose, including the absence of starting reagents, the incompatibility of certain reactions with methoxy groups, the possible formation of several isomers, and the easy re-oxidation of sensitive intermediates. To overcome these obstacles, we developed a new retrosynthetic strategy using modified precursors: replacing methoxy groups with O-methylenemethoxy (OMOM) groups that are more stable in basic media, using aldehydes or aromatic esters as precursors, and replacing certain substituents with groups that are easier and less costly to introduce (chlorine or nitro). Selected metabolites (benzoylMDs, benzoxanthones) were then tested in parasite and cellular assays. Furthermore, benzoylMDs were tested as subversive substrates of S. mansoni thioredoxin-glutathione reductase (SmTGR) and selected drug metabolites were investigated in SmTGR modeling experiments. From a One Health perspective, these benzylMD derivatives pose limited environmental risk because their metabolites lack toxicity when encountered externally, as toxicity requires intracellular metabolic activation and localized formation of reactive intermediates in close proximity to their cellular targets inside parasites.

Authors: Elena Cesar-Rodo, Jeremy Boilevin, Jimmy Richard, Peter D. Ziniel, Didier Belorgey, Louis Maes, Francesco Angelucci, David Lee Williams, Elisabeth Davioud-Charvet, Don Antoine Lanfranchi

Date Published: 27th May 2026

Publication Type: Journal Article

DOI: 10.3390/molecules31111839

Citation: Molecules 31(11):1839.

Created: 14th Jul 2026 at 08:44

Environmentally Safe and Just Pharmacy: A Framework and Action Plan for Operating within the Earth System Boundary for Novel Entities

Abstract

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Authors: Alistair B. A. Boxall, Priyanie Amerasinghe, Sally Beckenham, Michael G. Bertram, Sally Gaw, Austin D. Gray, Karen A. Kidd, Laura M. Langan, Kenneth M. Y. Leung, Jack L. Manera, Karina S. B. Miglioranza, Rik Oldenkamp, Bryan W. Brooks

Date Published: 7th May 2026

Publication Type: Journal Article

DOI: 10.1021/acs.est.5c13062

Citation: Environ. Sci. Technol. 60(19):13804-13816.

Created: 14th Jul 2026 at 08:37

A strategic discovery roadmap towards high-quality leads and drug development candidates for kinetoplastid diseases. Part 3: from lead towards a drug development candidate

Abstract (Expand)

Abstract Neglected tropical diseases such as leishmaniasis, Chagas disease, sleeping sickness and animal trypanosomiasis remain a significant global health challenge. This part of the roadmap outlines …

Authors: Sarah Hendrickx, Kayhan Ilbeigi, Eli S J Thoré, Michael G Bertram, Estefanía Calvo-Alvarez, Sener Cintesun, Ana Isabel Olías-Molero, María Jesús Corral, Marta Mateo-Barrientos, Jérôme Estaquier, Sébastien Pomel, José María Alunda, Sheraz Gul, Katrien Van Bocxlaer, Frédéric Frézard, Joana Tavares, Anabela Cordeiro Da Silva, Maria Paola Costi, Louis Maes, Guy Caljon

Date Published: 5th May 2026

Publication Type: Journal Article

DOI: 10.1093/jac/dkag111

Citation: Journal of Antimicrobial Chemotherapy 81(6):dkag111.

Created: 14th Jul 2026 at 08:39, Last updated: 14th Jul 2026 at 08:40

The EamA metabolite transporter does not affect antileishmanial drug susceptibility.

Abstract (Expand)

Leishmaniasis is a major neglected tropical disease, exists in 98 countries and constitutes a global public health threat. As chemotherapy is confronted with drug resistance and treatment failure, …

Authors: R. Ahmad, G. Gastoldi, S. T. Wong, A. Baeza Garcia, G. Caljon

Date Published: 19th Apr 2026

Publication Type: Journal Article

PubMed ID: 41512493

Citation: Int J Parasitol Drugs Drug Resist. 2026 Apr;30:100632. doi: 10.1016/j.ijpddr.2026.100632. Epub 2026 Jan 2.

Created: 14th Jul 2026 at 08:42

A strategic discovery roadmap towards high-quality leads and drug development candidates for kinetoplastid diseases. Part 1: setting the stage

Abstract (Expand)

Abstract Given the impact of kinetoplastid diseases, the limited therapeutic options and risk of treatment failure, continued research efforts to discover novel drug entities are required. The ambition …

Date Published: 3rd Apr 2026

Publication Type: Journal Article

DOI: 10.1093/jac/dkag109

Citation: Journal of Antimicrobial Chemotherapy 81(5):dkag109.

Created: 14th Jul 2026 at 08:38, Last updated: 14th Jul 2026 at 08:38

The application of ultrastructure expansion microscopy reveals the apical microtubule architecture of Babesia

Abstract

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Authors: Viktoriya Levytska, Alexey Bondar, Ana Maria Filipe, Jana Kopecka, Daniel Sojka, Marie Jalovecka

Date Published: 1st Apr 2026

Publication Type: Journal Article

DOI: 10.1016/j.ijpara.2026.104851

Citation: International Journal for Parasitology:104851.

Created: 14th Jul 2026 at 08:49

Multifaceted biological and computational assessment of aromatic and N-heteroaromatic non-substituted thiosemicarbazones.

Abstract (Expand)

Thiosemicarbazones (TSCs) constitute a pharmacologically versatile class of compounds with documented antimicrobial, antiviral, and anticancer properties. Despite their therapeutic potential, their …

Authors: N. Macijewska, P. Ristic, A. Kallingal, M. Gulea, M. Donnard, N. Girard, A. Matheeussen, N. Van Pelt, G. Caljon, V. Dobricic, J. Boskovic, M. Popovic-Nikolic, K. Nikolic, M. Zloh, V. Blagojevic, T. Todorovic, N. Filipovic

Date Published: 25th Mar 2026

Publication Type: Journal Article

PubMed ID: 41882117

Citation: Sci Rep. 2026 Mar 25;16(1):14911. doi: 10.1038/s41598-026-44568-4.

Created: 14th Jul 2026 at 08:41

A strategic discovery roadmap towards high-quality leads and drug development candidates for kinetoplastid diseases. Part 2: from molecule to confirmed hit

Abstract (Expand)

Abstract Given the medical importance and challenges related to kinetoplastid diseases, a strategic roadmap is needed for the identification of high-quality leads and drug development candidates. Within …

Date Published: 4th Mar 2026

Publication Type: Journal Article

DOI: 10.1093/jac/dkag110

Citation: Journal of Antimicrobial Chemotherapy 81(4):dkag110.

Created: 14th Jul 2026 at 08:39, Last updated: 14th Jul 2026 at 08:40

Cytotoxicity and Antimicrobial Activity of GaMF1 Analogs.

Abstract (Expand)

Recent studies have identified the mycobacterial adenosine triphosphate synthase inhibitor GaMF1 and its structural analogs as compounds with noteworthy antituberculosis activity. Despite these promising …

Authors: J. Chasak, P. Vyvlecka, I. Nemec, A. Matheeussen, N. Van Pelt, P. Cos, G. Caljon, V. Krystof, L. Brulikova

Date Published: 25th Feb 2026

Publication Type: Journal Article

PubMed ID: 41712543

Citation: ChemMedChem. 2026 Feb 25;21(4):e202500951. doi: 10.1002/cmdc.202500951.

Created: 14th Jul 2026 at 08:40

The heme A synthase Cox15, as a target of redox-active 3-benzylmenadiones with antiparasitic activity

Abstract (Expand)

ABSTRACT Chagas disease, caused by Trypanosoma cruzi , is a neglected parasitic infection. The very limited arsenal of anti- T . cruzi treatments calls for the development of new drugs. Recently, a …

Authors: Marcelo L. Merli, Claudia Serot, Cindy Vallières, Julia A. Cricco, Bogdan I. Iorga, Elisabeth Davioud-Charvet, Brigitte Meunier

Date Published: 7th Jan 2026

Publication Type: Journal Article

DOI: 10.1128/aac.01161-25

Citation: Antimicrob Agents Chemother 70(1):e01161-25.

Created: 14th Jul 2026 at 08:43, Last updated: 14th Jul 2026 at 08:44

Oxyprenyl–chalcones as antibacterial hits: design of experiments-optimized synthesis, antibacterial evaluation, early drug-like profiling and biodegradability prediction

Abstract

The escalating threat of antimicrobial resistance (AMR) compels the development of novel antibiotics with broad spectrum activity and environmentally responsible degradation profiles.

Authors: Ludovica Marotta, Francesca Maria Pia Rita Giammarino, Brondon Brandly Senenou Tambou, Valeria Tudino, Stefania Butini, Lorenza Broccardo, Sacha Michèle Idriss Cancade, Jean-Denis Docquier, Federica Perego, Nicoletta Basilico, Lorenzo Raffellini, Sheraz Gul, Gabriele Carullo, Sandra Gemma, Giuseppe Campiani

Date Published: 2026

Publication Type: Journal Article

DOI: 10.1039/d5md00839e

Citation: RSC Med. Chem. 17(3):1573-1585.

Created: 14th Jul 2026 at 08:35

Syntheses and computational analyses of selected macrolide derivatives derived from clarithromycin A

Abstract (Expand)

This study presents the synthesis and experimental and computational analysis of novel macrolide derivatives obtained from clarithromycin A, with the aim of exploring their potential to address the …

Authors: Biljana Arsic, Gareth Morris, Abdolreza Hassanzadeh, Olga Jovanovic, Jill Barber, Djordje Glisin

Date Published: 2026

Publication Type: Journal Article

DOI: 10.2298/jsc251104018a

Citation: JSCS(00):18-18.

Created: 14th Jul 2026 at 08:46

Synthesis and evaluation of nitroheterocyclic aromatic adamantane amides with trypanocidal activity. Part II

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Abstract

New nitroheterocyclic adamantane amides display promising trypanocidal activity. The spacer length between the adamantylphenyl backbone and the nitroheterocyclic ring plays a crucial role in potency.

Authors: Angeliki-Sofia Foscolos, Richard L. Atherton, Maria Billia, Markos-Orestis Georgiadis, Nuno Santarém, Anabela Cordeiro da Silva, Martin C. Taylor, John M. Kelly, Theodora Calogeropoulou, Andrew Tsotinis, Thomas Mavromoustakos, Ioannis P. Papanastasiou

Date Published: 2026

Publication Type: Journal Article

DOI: 10.1039/d5md00527b

Citation: RSC Med. Chem. 17(1):590-605.

Created: 14th Jul 2026 at 08:50

Are Behavioral Ecotoxicity Endpoints Relevant at the Population Level? Evidence-Based Insights for Environmental Protection

Abstract

Not specified

Authors: Michael G. Bertram, Marlene Ågerstrand, Sigal Balshine, Jack A. Brand, Bryan W. Brooks, ZhiChao Dang, Alex T. Ford, Henner Hollert, Matthew K. LeFauve, Jack L. Manera, Jake M. Martin, Marcus Michelangeli, Maria Moiron, Eleanor R. Moore, Holly J. Puglis, Andrew Sih, Jeffery A. Steevens, Eli S. J. Thoré, Bob B. M. Wong, Lauren Zink, Tomas Brodin

Date Published: 24th Dec 2025

Publication Type: Journal Article

DOI: 10.1021/acs.est.5c07777

Citation: Environ. Sci. Technol. 60(1):86-95.

Created: 14th Jul 2026 at 08:35

From pan-active to parasite-selective antiparasitic agents: A scaffold hopping approach

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Abstract

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Authors: Chiara Borsari, Nuno Santarem, Dina Coertzen, Asia Mazzolari, Alexandra Ioana Corfu, Catarina Coelho, Francisca Barbosa, Lucia Tamborini, Lyn-Marié Birkholtz, Lorenzo Raffellini, Oliver Keminer, Nicoletta Basilico, Silvia Parapini, Sheraz Gul, Anabela Cordeiro-da-Silva, Paola Conti

Date Published: 1st Dec 2025

Publication Type: Journal Article

DOI: 10.1016/j.ejmech.2025.118095

Citation: European Journal of Medicinal Chemistry 300:118095.

Created: 14th Jul 2026 at 08:21

Thiazolidinones and related analogues as efficient antitrypanosomal agents.

Abstract (Expand)

We designed and synthesised a series of thiazolidinediones and related analogues and evaluated their antiparasitic activity. A structure-activity relationship (SAR) study focused on modifications of …

Authors: M. Kolarik, K. Ilbeigi, G. Caljon, L. Brulikova

Date Published: 1st Dec 2025

Publication Type: Journal Article

PubMed ID: 40885017

Citation: Bioorg Med Chem. 2025 Dec 1;130:118363. doi: 10.1016/j.bmc.2025.118363. Epub 2025 Aug 21.

Created: 14th Jul 2026 at 08:25

Persistent myeloid cell reprogramming despite miltefosine treatment in leishmania-infected macaques

Abstract

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Authors: Morgane Picard, Steven Boutrais, Vasco Rodrigues, Yasmina Fortier, Chloé Borde, Calaiselvy Soundaramourty, Julien Clain, Charles Joly-Beauparlant, Gina Racine, Ouafa Zghidi-Abouzid, Arnaud Droit, Alain Pruvost, Maria Paola Costi, Ricardo Silvestre, Anabela Cordeiro da Silva, Jane MacDougall, Sónia André, Jérôme Estaquier

Date Published: 1st Dec 2025

Publication Type: Journal Article

DOI: 10.1016/j.isci.2025.113900

Citation: iScience 28(12):113900.

Created: 14th Jul 2026 at 08:32

Π-Π stacking stabilized polymeric micelles for hydrophobic drug delivery in the treatment of leishmaniasis

Abstract

Not specified

Authors: Ana G. Gomes-Alves, Aida Varela-Moreira, Tânia Cruz, Margarida Duarte, Helena Castro, Rui Moreira, Ana S. Ressurreição, Gert Storm, Wim E. Hennink, Ana M. Tomás

Date Published: 1st Dec 2025

Publication Type: Journal Article

DOI: 10.1016/j.ijpharm.2025.126316

Citation: International Journal of Pharmaceutics 686:126316.

Created: 14th Jul 2026 at 08:47

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