Bioprospecting-based untargeted metabolomics identifies alkaloids as potential anti-inflammatory bioactive markers of Ocotea species (Lauraceae)

Katchborian-Neto, Albert; Nicácio, Karen de Jesus; Cruz, Jonas C.; Bueno, Paula Carolina Pires; Murgu, Michael; Dias, Danielle F.; Soares, Marisi G.; Paula, Ana C.C.; Chagas-Paula, Daniela A.

doi:10.1016/j.phymed.2023.155060

Cited by 2 publications

(5 citation statements)

References 53 publications

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“…It is worth mentioning that the first report on the evaluation of the chemical composition of several of these endemic Ocotea spp. in Brazil was published in 2023 [ 39 ].…”

Section: Discussionmentioning

confidence: 99%

Integrative open workflow for confident annotation and molecular networking of metabolomics MSE/DIA data

Katchborian-Neto,

Alves,

Bueno

et al. 2024

Briefings in Bioinformatics

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Liquid chromatography coupled with high-resolution mass spectrometry data-independent acquisition (LC-HRMS/DIA), including MSE, enable comprehensive metabolomics analyses though they pose challenges for data processing with automatic annotation and molecular networking (MN) implementation. This motivated the present proposal, in which we introduce DIA-IntOpenStream, a new integrated workflow combining open-source software to streamline MSE data handling. It provides ‘in-house’ custom database construction, allows the conversion of raw MSE data to a universal format (.mzML) and leverages open software (MZmine 3 and MS-DIAL) all advantages for confident annotation and effective MN data interpretation. This pipeline significantly enhances the accessibility, reliability and reproducibility of complex MSE/DIA studies, overcoming previous limitations of proprietary software and non-universal MS data formats that restricted integrative analysis. We demonstrate the utility of DIA-IntOpenStream with two independent datasets: dataset 1 consists of new data from 60 plant extracts from the Ocotea genus; dataset 2 is a publicly available actinobacterial extract spiked with authentic standard for detailed comparative analysis with existing methods. This user-friendly pipeline enables broader adoption of cutting-edge MS tools and provides value to the scientific community. Overall, it holds promise for speeding up metabolite discoveries toward a more collaborative and open environment for research.

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“…It is worth mentioning that the first report on the evaluation of the chemical composition of several of these endemic Ocotea spp. in Brazil was published in 2023 [ 39 ].…”

Section: Discussionmentioning

confidence: 99%

Integrative open workflow for confident annotation and molecular networking of metabolomics MSE/DIA data

Katchborian-Neto,

Alves,

Bueno

et al. 2024

Briefings in Bioinformatics

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“…were evidenced as potential biomarkers of anti-inflammatory activity. 11 Moreover, flavonoids were found to be widespread in these species using advanced data-independent acquisition (DIA) molecular networking approaches. 12 …”

Section: Introductionmentioning

confidence: 99%

“…In this context, most studies concerning Ocotea plants mainly focused on alkaloids, 11,18,19 and lignoids, 20–23 as this genus is recognized as a great producer of these NP classes. 15,24 However, flavonoids were often underexploited, despite their renowned and extensive range of biological activities and health benefits.…”

Section: Introductionmentioning

confidence: 99%

“…were evidenced as potential biomarkers of anti-inammatory activity. 11 Moreover, avonoids were found to be widespread in these species using advanced data-independent acquisition (DIA) molecular networking approaches. 12 Recent phytochemical studies carried out by our group revealed the anti-inammatory potential of O. diospyrifolia and O. odorifera, leading to the isolation of several NPs, including a novel aporphine alkaloid from the former, named diospirifoline.…”

Section: Introductionmentioning

confidence: 99%

“…16 It enables the identication of biomarker distribution among species, which is invaluable, particularly for a genus such as Ocotea, in which morphological variability impacts species delimitation. 15,17 In this context, most studies concerning Ocotea plants mainly focused on alkaloids, 11,18,19 and lignoids, [20][21][22][23] as this genus is recognized as a great producer of these NP classes. 15,24 However, avonoids were oen underexploited, despite their renowned and extensive range of biological activities and health benets.…”

Section: Introductionmentioning

confidence: 99%

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LC-MS/DIA-based strategy for comprehensive flavonoid profiling: an Ocotea spp. applicability case

Alves,

Katchborian-Neto,

Bueno

et al. 2024

RSC Adv.

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Bioprospecting-based untargeted metabolomics identifies alkaloids as potential anti-inflammatory bioactive markers of Ocotea species (Lauraceae)

Cited by 2 publications

References 53 publications

Integrative open workflow for confident annotation and molecular networking of metabolomics MSE/DIA data

Integrative open workflow for confident annotation and molecular networking of metabolomics MSE/DIA data

LC-MS/DIA-based strategy for comprehensive flavonoid profiling: an Ocotea spp. applicability case

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