Manuel Glaser

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About Manuel Glaser:

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SEEK ID: https://publications.h-its.org/people/162

Location: Germany

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Molecular and Cellular Modeling

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Heidelberg Institute for Theoretical Studies

Country: Germany

City: Heidelberg

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

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Wird KI neue Medikamente gegen Herzkrankheiten hervorbringen?

Molecular and Cellular Modeling

Abstract (Expand)

Zusammenfassung Angesichts der umwälzenden Auswirkungen, die künstliche Intelligenz (KI) auf Wissenschaft, Medizin und darüber hinaus hat, betrachten wir hier das Potenzial von KI für die Entdeckung …

Authors: Manuel Glaser, Julia Ritterhof, Patrick Most, Rebecca C. Wade

Date Published: 20th Nov 2023

Publication Type: Journal

DOI: 10.1055/a-2131-2843

Citation: Aktuelle Kardiologie 12(06):450-458

Created: 23rd Nov 2023 at 16:12, Last updated: 5th Mar 2024 at 21:25

Identification of antiparasitic drug targets using a multi-omics workflow in the acanthocephalan model

Molecular and Cellular Modeling

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Abstract Background With the expansion of animal production, parasitic helminths are gaining increasing economic importance. However, application of several established deworming agents can harm treated …er, application of several established deworming agents can harm treated hosts and environment due to their low specificity. Furthermore, the number of parasite strains showing resistance is growing, while hardly any new anthelminthics are being developed. Here, we present a bioinformatics workflow designed to reduce the time and cost in the development of new strategies against parasites. The workflow includes quantitative transcriptomics and proteomics, 3D structure modeling, binding site prediction, and virtual ligand screening. Its use is demonstrated for Acanthocephala (thorny-headed worms) which are an emerging pest in fish aquaculture. We included three acanthocephalans ( Pomphorhynchus laevis, Neoechinorhynchus agilis , Neoechinorhynchus buttnerae ) from four fish species (common barbel, European eel, thinlip mullet, tambaqui). Results The workflow led to eleven highly specific candidate targets in acanthocephalans. The candidate targets showed constant and elevated transcript abundances across definitive and accidental hosts, suggestive of constitutive expression and functional importance. Hence, the impairment of the corresponding proteins should enable specific and effective killing of acanthocephalans. Candidate targets were also highly abundant in the acanthocephalan body wall, through which these gutless parasites take up nutrients. Thus, the candidate targets are likely to be accessible to compounds that are orally administered to fish. Virtual ligand screening led to ten compounds, of which five appeared to be especially promising according to ADMET, GHS, and RO5 criteria: tadalafil, pranazepide, piketoprofen, heliomycin, and the nematicide derquantel. Conclusions The combination of genomics, transcriptomics, and proteomics led to a broadly applicable procedure for the cost- and time-saving identification of candidate target proteins in parasites. The ligands predicted to bind can now be further evaluated for their suitability in the control of acanthocephalans. The workflow has been deposited at the Galaxy workflow server under the URL tinyurl.com/yx72rda7 .

Authors: Hanno Schmidt, Katharina Mauer, Manuel Glaser, Bahram Sayyaf Dezfuli, Sören Lukas Hellmann, Ana Lúcia Silva Gomes, Falk Butter, Rebecca C. Wade, Thomas Hankeln, Holger Herlyn

Date Published: 1st Dec 2022

Publication Type: Journal

DOI: 10.1186/s12864-022-08882-1

Citation: BMC Genomics 23(1),677

Created: 4th Oct 2022 at 07:43, Last updated: 5th Mar 2024 at 21:24

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