Beta
314733

Anti-Alzheimer Activity and UHPLC-MS Based Molecular Networking of Pseudobombax ellipticum Cultivars Coupled to Multivariate Data Analysis and In Silico Molecular Docking.

Article

Last updated: 01 Jan 2025

Subjects

-

Tags

Pharmaceutical Chemistry

Abstract

Pseudobombax ellipticum (Kunth) Dugand and the cultivar alba (Hort.) are members of the family Bombacaceae. Their chemical composition is still under investigation. The current study aimed to investigate their chemical compositions, exploring the variations between organs and cultivars and in vitro screening of the anti-Alzheimer activity of their ethanolic extracts against butyryl and acetyl cholinesterases enzymes. Primary phytochemical screening revealed the presence of secondary metabolites of mainly flavonoids, tannins, and terpenoids classes. Total phenolics and flavonoids were quantified in both cultivars; leaves, bark, and flowers as mg gallic acid equivalent /gm extract and mg rutin equivalent/gm extract, respectively. Metabolic profiling of leaves, bark and flowers of both cultivars via UHPLC-HRMS in negative and positive modes resulted in the identification of 89 compounds of different classes, including simple phenols and flavonoids, fatty amides and alcohols, triterpenes, and fatty acids, esters, and triacylglycerols. All of the identified compounds are reported for the first time in Pseudobombax ellipticum. Feature-based Molecular Networking (FBMN) demonstrated the different phytochemical classes and highlighted the major compounds in each class. Principal component analysis (PCA), hierarchical clustering analysis (HCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA) were performed on the MS-data to explore the variance between organs and cultivars and to detect the abundant and unique compounds in each organ. Acetyl and butyryl cholinesterases inhibitory activities of both cultivars; leaves, bark, and flowers were screened at 10 and 100 µg/mL using donepezil as a positive control. All extracts did not inhibit butyryl cholinesterase up to 100µg/mL and showed more than 50% acetyl cholinesterase inhibitory activity at 100µg/mL. Furthermore, selected identified compounds were subjected to a molecular docking study to investigate the binding affinity of the examined compounds toward the acetyl cholinesterase target. These results revealed the chemical richness of Pseudobombax ellipticum cultivars and their probability of managing several health problems.

DOI

10.21608/ejchem.2023.224319.8292

Keywords

UHPLC-HRMS, Metabolite profiling, anti-Alzheimer activity, Pseudobombax ellipticum, molecular networking, Multivariate data analysis

Authors

First Name

Ahmed

Last Name

Mohamed

MiddleName

S.

Affiliation

Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Kasr Al-Aini St., Cairo 11562, Egypt.

Email

ahmed.abobakr@pharma.cu.edu.eg

City

-

Orcid

0009-0009-5728-9187

First Name

Osama

Last Name

Mohamed

MiddleName

G.

Affiliation

Natural Products Discovery Core, Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109, USA

Email

osama.mohamed@pharma.cu.edu.eg

City

Ann Arbor

Orcid

0000-0003-3216-6948

First Name

Ali

Last Name

El Shamy

MiddleName

M.

Affiliation

Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, Egypt

Email

ali.elshamy@pharma.cu.edu.eg

City

-

Orcid

-

First Name

Fatma

Last Name

El Sakhawy

MiddleName

S.

Affiliation

Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, Egypt

Email

fatma.elsakhawy@pharma.cu.edu.eg

City

-

Orcid

-

First Name

Ahmed

Last Name

Al‐Karmalawy

MiddleName

A.

Affiliation

Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, 6th of October City, Giza, Egypt

Email

akarmalawy@acu.edu.eg

City

-

Orcid

-

First Name

Ashootosh

Last Name

Tripathi

MiddleName

-

Affiliation

Natural Products Discovery Core, Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109, USA

Email

ashtri@umich.edu

City

-

Orcid

-

First Name

Rania

Last Name

El Gedaily

MiddleName

A.

Affiliation

Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Cairo, Egypt

Email

rania.elgedaily@pharma.cu.edu.eg

City

Cairo

Orcid

0000000228765393

Volume

67

Article Issue

3

Related Issue

45192

Issue Date

2024-03-01

Receive Date

2023-07-21

Publish Date

2024-03-01

Page Start

357

Page End

377

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_314733.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=314733

Order

314,733

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

Anti-Alzheimer Activity and UHPLC-MS Based Molecular Networking of Pseudobombax ellipticum Cultivars Coupled to Multivariate Data Analysis and In Silico Molecular Docking.

Details

Type

Article

Created At

30 Dec 2024