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257288

Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids

Article

Last updated: 05 Jan 2025

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Subjects

-

Tags

Drugs from natural sources

Abstract

Neuronal nicotinic acetylcholine receptors, including α4 and β2 subunits, are the amplest nicotinic acetylcholine receptors present in the brain. Nicotine is a component of tobacco smoke that exerts its psychoactive impacts via binding to nicotinic acetylcholine receptors (nAChRs). Thus, targeting α4β2 of the nAChRs is emerging as a promising tool implemented for smoking cessation. We isolated twelve (1-12) alkaloids from 75% EtOH extract of L. subcarnosus herb for the first time. The structures of the isolated alkaloids were established by spectroscopic methods, by comparison with authentic samples. Based on the structural similarities between the approved smoking cessation drugs cytisine and varenicline, the isolated alkaloids (1-12) were docked into the α4β2 nAChR active site. Compounds 9 and 11 revealed reasonable binding energy and interacted with the key amino acids Cys199, Cys200, and Trp156 within α4β2 nAChR active site. The in silico ADME prediction toxicity and mutagenicity of lupin alkaloids were studied as well.

DOI

10.21608/odr.2022.155742.1007

Keywords

Leguminosae, lupin alkaloids, Smoking cessation, (nAChRs), docking

Authors

First Name

Mahmoud

Last Name

Mohamed

MiddleName

-

Affiliation

Pharmacognosy Department, College of Clinical Pharmacy, Albaha University, Saudi Arabia

Email

m_hamed2000@yahoo.com

City

-

Orcid

-

First Name

Omar

Last Name

Aly

MiddleName

M.

Affiliation

Department of Medicinal Chemistry, Faculty of Pharmacy, Port Said University

Email

omarsokkar@pharm.psu.edu.eg

City

Port Said

Orcid

0000-0001-9299-920X

First Name

Saleh

Last Name

Alghamdi

MiddleName

Abdullah

Affiliation

Clinical pharmacy department, College of Clinical Pharmacy,‬ ‪ ‬ ‪AlBaha University, Saudi Arabia‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬

Email

saleh.alghamdi@bu.edu.sa

City

-

Orcid

-

First Name

Ali

Last Name

Alquraini

MiddleName

-

Affiliation

Pharmaceutical chemistry department, College of Clinical Pharmacy,‬ ‪AlBaha University, Saudi Arabia‬‬‬‬‬‬‬‬‬‬

Email

muhamad_mustafa99@yahoo.com

City

-

Orcid

-

First Name

Abdulaziz

Last Name

Alzahrani

MiddleName

-

Affiliation

Pharmaceutical chemistry department, College of Clinical Pharmacy,‬ ‪ ‬ ‪AlBaha University, Saudi Arabia

Email

alzahraniaar@bu.edu.sa

City

-

Orcid

-

First Name

Adel

Last Name

Alghamdi

MiddleName

-

Affiliation

Pharmaceutical chemistry department, College of Clinical Pharmacy,‬ ‪AlBaha University, Saudi Arabia‬‬‬‬‬‬‬‬‬‬

Email

ai.alghamdi@bu.edu.sa

City

-

Orcid

-

First Name

Ibrahim

Last Name

M. Shatla

MiddleName

-

Affiliation

Department of Physiology, Damietta Faculty of Medicine, Al-Azhar University, Egypt

Email

ebrahimshatla@yahoo.com

City

-

Orcid

-

First Name

Abd El Nasser

Last Name

El Shorbagi

MiddleName

-

Affiliation

Department of Medicinal Chemistry, Faculty of Pharmacy, Al Sharjah University, United Arab Emirates.

Email

aelshorbagi@sharjah.ac.ae

City

-

Orcid

-

First Name

Sachin

Last Name

Chaudhary

MiddleName

-

Affiliation

Department of Medicinal Chemistry, Faculty of Pharmacy, Al Sharjah University, United Arab Emirates.

Email

schaudhary@sharjah.ac

City

-

Orcid

-

First Name

Muhamad

Last Name

Mustafa

MiddleName

-

Affiliation

IBMM, Univ. Montpellier, ENSCM, Montpellier, France

Email

muhamad-mustafa.hussein@umontpellier.fr

City

Montpellier

Orcid

0000-0002-1384-7556

Volume

1

Article Issue

1

Related Issue

36747

Issue Date

2022-09-01

Receive Date

2022-08-11

Publish Date

2022-09-01

Page Start

50

Page End

54

Print ISSN

2812-6351

Online ISSN

2812-636X

Article File

ODR_Volume 1_Issue 1_Pages 50-54.pdf

PDF . 730.3kB

Link

https://odr.journals.ekb.eg/article_257288.html

Detail API

https://odr.journals.ekb.eg/service?article_code=257288

Order

5

Type

Research Articles

Type Code

2,485

Publication Type

Journal

Publication Title

Octahedron Drug Research

Publication Link

https://odr.journals.ekb.eg/

MainTitle

Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids

Details

Type

Article

Created At

23 Jan 2023