MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance

Isabela R. Molina; Jhuly W. Ferreira Lacerda; João P. Ernzen; Lucas Pradi; Geovanna de O. Costa; Carime L. Mansur Pontes; Maria Alice Neves; Mario Steindel; Xavier Siwe-Noundou; Derek T. Ndinteh; Louis P. Sandjo

doi:10.1016/j.bse.2025.104977

MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance

Isabela R. Molina, Jhuly W. Ferreira Lacerda, João P. Ernzen, Lucas Pradi, Geovanna de O. Costa, Carime L. Mansur Pontes, Maria Alice Neves, Mario Steindel, Xavier Siwe-Noundou, Derek T. Ndinteh, Louis P. Sandjo^*

^*Corresponding author for this work

Pharmaceutical Sciences

Research output: Contribution to journal › Article › peer-review

Abstract

The edible mushroom Phlebopus beniensis, was extracted, fractionated and the chemical profiles of the obtained fractions were established by dereplication of UPLC-ESI-QTOF-MS data assisted by MS-Dial and MS-Finder databases. Among the 35 detected secondary metabolites, sphingolipids, glycerophospolipids, a cerebroside, an iridoid, a lipophosphocholine, tetronic acid derivatives, and a pyrrole alkaloid were identified as main components. The identified lipids derivatives and part of these tetronic acids are herein reported for the first time in P. beniensis. The crude extract and fractions were evaluated for their inhibitory effect against the Trypanosoma cruzi enzyme, trypanothione reductase (TryTR). The n-butanol fraction showed inhibitory percentages of 99.0 ± 1.8 % (corresponding to the IC₅₀ value of 23.2 ± 7.3 μg/mL) and was more active than the crude extract (inhibitory effect of 4.8 ± 3.3%). The chemophenetic significances of the identified compounds were discussed.

Original language	English
Article number	104977
Journal	Biochemical Systematics and Ecology
Volume	120
DOIs	https://doi.org/10.1016/j.bse.2025.104977
Publication status	Published - Jun 2025

Keywords

Chemophenetic study
Dereplication
Phlebopus beniensis
Tetronic acids
Trypanothione reductase
UPLC-ESI-MS

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10.1016/j.bse.2025.104977

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Molina, I. R., Ferreira Lacerda, J. W., Ernzen, J. P., Pradi, L., de O. Costa, G., Mansur Pontes, C. L., Neves, M. A., Steindel, M., Siwe-Noundou, X., Ndinteh, D. T., & Sandjo, L. P. (2025). MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance. Biochemical Systematics and Ecology, 120, Article 104977. https://doi.org/10.1016/j.bse.2025.104977

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title = "MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance",

abstract = "The edible mushroom Phlebopus beniensis, was extracted, fractionated and the chemical profiles of the obtained fractions were established by dereplication of UPLC-ESI-QTOF-MS data assisted by MS-Dial and MS-Finder databases. Among the 35 detected secondary metabolites, sphingolipids, glycerophospolipids, a cerebroside, an iridoid, a lipophosphocholine, tetronic acid derivatives, and a pyrrole alkaloid were identified as main components. The identified lipids derivatives and part of these tetronic acids are herein reported for the first time in P. beniensis. The crude extract and fractions were evaluated for their inhibitory effect against the Trypanosoma cruzi enzyme, trypanothione reductase (TryTR). The n-butanol fraction showed inhibitory percentages of 99.0 ± 1.8 % (corresponding to the IC50 value of 23.2 ± 7.3 μg/mL) and was more active than the crude extract (inhibitory effect of 4.8 ± 3.3%). The chemophenetic significances of the identified compounds were discussed.",

keywords = "Chemophenetic study, Dereplication, Phlebopus beniensis, Tetronic acids, Trypanothione reductase, UPLC-ESI-MS",

author = "Molina, {Isabela R.} and {Ferreira Lacerda}, {Jhuly W.} and Ernzen, {Jo{\~a}o P.} and Lucas Pradi and {de O. Costa}, Geovanna and {Mansur Pontes}, {Carime L.} and Neves, {Maria Alice} and Mario Steindel and Xavier Siwe-Noundou and Ndinteh, {Derek T.} and Sandjo, {Louis P.}",

note = "Publisher Copyright: {\textcopyright} 2025 Elsevier Ltd",

year = "2025",

month = jun,

doi = "10.1016/j.bse.2025.104977",

language = "English",

volume = "120",

journal = "Biochemical Systematics and Ecology",

issn = "0305-1978",

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Molina, IR, Ferreira Lacerda, JW, Ernzen, JP, Pradi, L, de O. Costa, G, Mansur Pontes, CL, Neves, MA, Steindel, M, Siwe-Noundou, X, Ndinteh, DT & Sandjo, LP 2025, 'MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance', Biochemical Systematics and Ecology, vol. 120, 104977. https://doi.org/10.1016/j.bse.2025.104977

TY - JOUR

T1 - MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions

T2 - Chemophenetic significance

AU - Molina, Isabela R.

AU - Ferreira Lacerda, Jhuly W.

AU - Ernzen, João P.

AU - Pradi, Lucas

AU - de O. Costa, Geovanna

AU - Mansur Pontes, Carime L.

AU - Neves, Maria Alice

AU - Steindel, Mario

AU - Siwe-Noundou, Xavier

AU - Ndinteh, Derek T.

AU - Sandjo, Louis P.

PY - 2025/6

Y1 - 2025/6

N2 - The edible mushroom Phlebopus beniensis, was extracted, fractionated and the chemical profiles of the obtained fractions were established by dereplication of UPLC-ESI-QTOF-MS data assisted by MS-Dial and MS-Finder databases. Among the 35 detected secondary metabolites, sphingolipids, glycerophospolipids, a cerebroside, an iridoid, a lipophosphocholine, tetronic acid derivatives, and a pyrrole alkaloid were identified as main components. The identified lipids derivatives and part of these tetronic acids are herein reported for the first time in P. beniensis. The crude extract and fractions were evaluated for their inhibitory effect against the Trypanosoma cruzi enzyme, trypanothione reductase (TryTR). The n-butanol fraction showed inhibitory percentages of 99.0 ± 1.8 % (corresponding to the IC50 value of 23.2 ± 7.3 μg/mL) and was more active than the crude extract (inhibitory effect of 4.8 ± 3.3%). The chemophenetic significances of the identified compounds were discussed.

AB - The edible mushroom Phlebopus beniensis, was extracted, fractionated and the chemical profiles of the obtained fractions were established by dereplication of UPLC-ESI-QTOF-MS data assisted by MS-Dial and MS-Finder databases. Among the 35 detected secondary metabolites, sphingolipids, glycerophospolipids, a cerebroside, an iridoid, a lipophosphocholine, tetronic acid derivatives, and a pyrrole alkaloid were identified as main components. The identified lipids derivatives and part of these tetronic acids are herein reported for the first time in P. beniensis. The crude extract and fractions were evaluated for their inhibitory effect against the Trypanosoma cruzi enzyme, trypanothione reductase (TryTR). The n-butanol fraction showed inhibitory percentages of 99.0 ± 1.8 % (corresponding to the IC50 value of 23.2 ± 7.3 μg/mL) and was more active than the crude extract (inhibitory effect of 4.8 ± 3.3%). The chemophenetic significances of the identified compounds were discussed.

KW - Chemophenetic study

KW - Dereplication

KW - Phlebopus beniensis

KW - Tetronic acids

KW - Trypanothione reductase

KW - UPLC-ESI-MS

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DO - 10.1016/j.bse.2025.104977

M3 - Article

AN - SCOPUS:85216975459

SN - 0305-1978

VL - 120

JO - Biochemical Systematics and Ecology

JF - Biochemical Systematics and Ecology

M1 - 104977

ER -

MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance

Abstract

Keywords

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