Combining predictive and analytical methods to elucidate pharmaceutical biotransformation in activated sludge

Trostel, Leo; Coll, Claudia; Fenner, Kathrin; Hafner, Jasmin

doi:10.1039/d3em00161j

Cited by 5 publications

(4 citation statements)

References 70 publications

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“…Compounds that are susceptible to mechanisms of (biotic or abiotic) environmental degradation demonstrate shorter environmental half-lives (reduced persistence) and therefore overall lower environmental concentrations, unless more toxic transformation products are formed. 52,53 ■ EXTRAPOLATION FROM INITIAL SCREENING TO…”

Section: Drug Developmentmentioning

confidence: 99%

“…Another plausible route toward reduced environmental pollution and therefore reduced environmental risk potential of any compound is better degradability. Compounds that are susceptible to mechanisms of (biotic or abiotic) environmental degradation demonstrate shorter environmental half-lives (reduced persistence) and therefore overall lower environmental concentrations, unless more toxic transformation products are formed. , …”

Section: Considering Environmental Risks During Drug Developmentmentioning

confidence: 99%

See 1 more Smart Citation

Assessing Environmental Risks during the Drug Development Process for Parasitic Vector-Borne Diseases: A Critical Reflection

Ilbeigi,

Barata,

Barbosa

et al. 2024

ACS Infect. Dis.

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Parasitic vector-borne diseases (VBDs) represent nearly 20% of the global burden of infectious diseases. Moreover, the spread of VBDs is enhanced by global travel, urbanization, and climate change. Treatment of VBDs faces challenges due to limitations of existing drugs, as the potential for side effects in nontarget species raises significant environmental concerns. Consequently, considering environmental risks early in drug development processes is critically important. Here, we examine the environmental risk assessment process for veterinary medicinal products in the European Union and identify major gaps in the ecotoxicity data of these drugs. By highlighting the scarcity of ecotoxicological data for commonly used antiparasitic drugs, we stress the urgent need for considering the One Health concept. We advocate for employing predictive tools and nonanimal methodologies such as New Approach Methodologies at early stages of antiparasitic drug research and development. Furthermore, adopting progressive approaches to mitigate ecological risks requires the integration of nonstandard tests that account for real-world complexities and use environmentally relevant exposure scenarios. Such a strategy is vital for a sustainable drug development process as it adheres to the principles of One Health, ultimately contributing to a healthier and more sustainable world.

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Section: Drug Developmentmentioning

confidence: 99%

Section: Considering Environmental Risks During Drug Developmentmentioning

confidence: 99%

Assessing Environmental Risks during the Drug Development Process for Parasitic Vector-Borne Diseases: A Critical Reflection

Ilbeigi,

Barata,

Barbosa

et al. 2024

ACS Infect. Dis.

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“…Trostel et al used an updated workflow that combines computational predictions with HRMS analysis for TP identification in activated sludge biodegradation experiments . The approach allowed tentative identification of a good ratio of TPs per pharmaceutical compound spiked at relatively low concentrations.…”

Section: Pharmaceuticals and Hormonesmentioning

confidence: 99%

Water Analysis: Emerging Contaminants and Current Issues

Richardson,

Manasfi

2024

Anal. Chem.

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BACKGROUND AND TRENDSThis biennial review covers developments in water analysis for emerging environmental contaminants mainly over the period of September 2021−December 2023 (with a few in early 2024). Analytical Chemistry's policy is to limit reviews to a maximum of ∼250 significant references and to mainly focus on new trends. Therefore, only a small fraction of the quality research publications are discussed. The previous Water Analysis review (with Thomas Ternes) was published in 2022. 1 This year, Tarek Manasfi joined to cover the section on pharmaceuticals and hormones. We welcome any comments you have on this Review

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“…The microbial biodegradation pathway of cypermethrin, as well as its potential biotransformation products (TPs), were obtained and predicted utilizing the EAWAG Biodegradation/Biocatalysis Pathway (BBD) tool (http://eawag-bbd.ethz.ch, accessed on 8 March 2024) [70,71]. The structure of cypermethrin, represented by its Simplified Molecular Input Line Entry System (SMILES), was obtained from the PubChem database (https://pubchem.ncbi.nlm.nih.gov/#query=cypermethrin, accessed on 8 March 2024) and input into the EAWAG-BBD pathway prediction system to generate a list of potential TPs.…”

Section: Prediction and Data Processing Of Transformation Products (Tps)mentioning

confidence: 99%

Mycotransformation of Commercial Grade Cypermethrin Dispersion by Aspergillus terreus PDB-B Strain Isolated from Lake Sediments of Kulamangalam, Madurai

Kannan,

Baskaran,

Juliana Selvaraj

et al. 2024

Molecules

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A fungal isolate Aspergillus terreus PDB-B (accession number: MT774567.1), which could tolerate up to 500 mg/L of cypermethrin, was isolated from the lake sediments of Kulamangalam tropical lake, Madurai, and identified by internal transcribed spacer (ITS) sequencing followed by phylogenetic analysis. The biotransformation potential of the strain was compared with five other strains (A, J, UN2, M1 and SM108) as a consortium, which were tentatively identified as Aspergillus glaucus, Aspergillus niger, Aspergillus flavus, Aspergillus terreus, and Aspergillus flavus, respectively. Batch culture and soil microcosm studies were conducted to explore biotransformation using plate-based enzymatic screening and GC-MS. A mycotransformation pathway was predicted based on a comparative analysis of the transformation products (TPs) obtained. The cytotoxicity assay revealed that the presence of (3-methylphenyl) methanol and isopropyl ether could be relevant to the high rate of lethality.

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Combining predictive and analytical methods to elucidate pharmaceutical biotransformation in activated sludge

Abstract: EAWAG-PPS and enviPath are valuable tools to predict transformation products and elucidate biotransformation pathways of active pharmaceutical ingredients in activated sludge.

Cited by 5 publications

References 70 publications

Assessing Environmental Risks during the Drug Development Process for Parasitic Vector-Borne Diseases: A Critical Reflection

Assessing Environmental Risks during the Drug Development Process for Parasitic Vector-Borne Diseases: A Critical Reflection

Water Analysis: Emerging Contaminants and Current Issues

Mycotransformation of Commercial Grade Cypermethrin Dispersion by Aspergillus terreus PDB-B Strain Isolated from Lake Sediments of Kulamangalam, Madurai

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