The Red Sea marine sponge Spongia irregularis: metabolomic profiling and cytotoxic potential supported by in silico studies

Enas Reda Abdelaleem; Mamdouh Nabil Samy; Safwat A. Ahmed; Asmaa M. AboulMagd; Albaraa Hani Alhadrami; Mostafa E. Rateb; Usama Ramadan Abdelmohsen; Samar Yehia Desoukey

doi:10.1080/14786419.2022.2030328

The Red Sea marine sponge Spongia irregularis: metabolomic profiling and cytotoxic potential supported by in silico studies

Enas Reda Abdelaleem, Mamdouh Nabil Samy, Safwat A. Ahmed, Asmaa M. AboulMagd, Albaraa Hani Alhadrami, Mostafa E. Rateb, Usama Ramadan Abdelmohsen^*, Samar Yehia Desoukey

^*Corresponding author for this work

School of Computing, Engineering and Physical Sciences

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

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Abstract

The current study discusses the chemical composition of the marine sponge Spongia irregularis using LC-HRESIMS. The metabolomic profiling resulted in the annotation of 17 metabolites of different chemical classes. Additionally, evaluation of the cytotoxic activities of the total extract and different fractions were carried out against three different cell lines where the n-butanol fraction exhibited the highest cytotoxic effects against HepG-2, MCF-7 and CACO-2 cell lines with IC₅₀ values of 9.6 ± 0.02, 4.3 ± 0.10 and 5.6 ± 0.03 µg/mL, respectively. Also, the study was supported by docking study of the identified compounds for binding affinity to MSK1.

Original language	English
Pages (from-to)	6359-6363
Number of pages	5
Journal	Natural Product Research
Volume	36
Issue number	24
Early online date	27 Jan 2022
DOIs	https://doi.org/10.1080/14786419.2022.2030328
Publication status	Published - 17 Dec 2022

Keywords

cytotoxic
LC-HRESIMS
metabolomics
sponges
Spongia irregularis

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1080/14786419.2022.2030328

2022 01 06 Abdelaleem et al Sponge acceptedAccepted author manuscript, 257 KBLicence: CC BY-NC

Cite this

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title = "The Red Sea marine sponge Spongia irregularis: metabolomic profiling and cytotoxic potential supported by in silico studies",

abstract = "The current study discusses the chemical composition of the marine sponge Spongia irregularis using LC-HRESIMS. The metabolomic profiling resulted in the annotation of 17 metabolites of different chemical classes. Additionally, evaluation of the cytotoxic activities of the total extract and different fractions were carried out against three different cell lines where the n-butanol fraction exhibited the highest cytotoxic effects against HepG-2, MCF-7 and CACO-2 cell lines with IC50 values of 9.6 ± 0.02, 4.3 ± 0.10 and 5.6 ± 0.03 µg/mL, respectively. Also, the study was supported by docking study of the identified compounds for binding affinity to MSK1.",

keywords = "cytotoxic, LC-HRESIMS, metabolomics, sponges, Spongia irregularis",

author = "Abdelaleem, {Enas Reda} and Samy, {Mamdouh Nabil} and Ahmed, {Safwat A.} and AboulMagd, {Asmaa M.} and Alhadrami, {Albaraa Hani} and Rateb, {Mostafa E.} and Abdelmohsen, {Usama Ramadan} and Desoukey, {Samar Yehia}",

year = "2022",

month = dec,

day = "17",

doi = "10.1080/14786419.2022.2030328",

language = "English",

volume = "36",

pages = "6359--6363",

journal = "Natural Product Research",

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T1 - The Red Sea marine sponge Spongia irregularis

T2 - metabolomic profiling and cytotoxic potential supported by in silico studies

AU - Abdelaleem, Enas Reda

AU - Samy, Mamdouh Nabil

AU - Ahmed, Safwat A.

AU - AboulMagd, Asmaa M.

AU - Alhadrami, Albaraa Hani

AU - Rateb, Mostafa E.

AU - Abdelmohsen, Usama Ramadan

AU - Desoukey, Samar Yehia

PY - 2022/12/17

Y1 - 2022/12/17

N2 - The current study discusses the chemical composition of the marine sponge Spongia irregularis using LC-HRESIMS. The metabolomic profiling resulted in the annotation of 17 metabolites of different chemical classes. Additionally, evaluation of the cytotoxic activities of the total extract and different fractions were carried out against three different cell lines where the n-butanol fraction exhibited the highest cytotoxic effects against HepG-2, MCF-7 and CACO-2 cell lines with IC50 values of 9.6 ± 0.02, 4.3 ± 0.10 and 5.6 ± 0.03 µg/mL, respectively. Also, the study was supported by docking study of the identified compounds for binding affinity to MSK1.

AB - The current study discusses the chemical composition of the marine sponge Spongia irregularis using LC-HRESIMS. The metabolomic profiling resulted in the annotation of 17 metabolites of different chemical classes. Additionally, evaluation of the cytotoxic activities of the total extract and different fractions were carried out against three different cell lines where the n-butanol fraction exhibited the highest cytotoxic effects against HepG-2, MCF-7 and CACO-2 cell lines with IC50 values of 9.6 ± 0.02, 4.3 ± 0.10 and 5.6 ± 0.03 µg/mL, respectively. Also, the study was supported by docking study of the identified compounds for binding affinity to MSK1.

KW - cytotoxic

KW - LC-HRESIMS

KW - metabolomics

KW - sponges

KW - Spongia irregularis

U2 - 10.1080/14786419.2022.2030328

DO - 10.1080/14786419.2022.2030328

M3 - Article

SN - 1478-6419

VL - 36

SP - 6359

EP - 6363

JO - Natural Product Research

JF - Natural Product Research

IS - 24

ER -

The Red Sea marine sponge Spongia irregularis: metabolomic profiling and cytotoxic potential supported by in silico studies

Abstract

Keywords

UN SDGs

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