Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids
Mohamed, M., Aly, O., Alghamdi, S., Alquraini, A., Alzahrani, A., Alghamdi, A., M. Shatla, I., El Shorbagi, A., Chaudhary, S., Mustafa, M. (2022). Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids. EKB Journal Management System, 1(1), 50-54. doi: 10.21608/odr.2022.155742.1007
Mahmoud Mohamed; Omar M. Aly; Saleh Abdullah Alghamdi; Ali Alquraini; Abdulaziz Alzahrani; Adel Alghamdi; Ibrahim M. Shatla; Abd El Nasser El Shorbagi; Sachin Chaudhary; Muhamad Mustafa. "Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids". EKB Journal Management System, 1, 1, 2022, 50-54. doi: 10.21608/odr.2022.155742.1007
Mohamed, M., Aly, O., Alghamdi, S., Alquraini, A., Alzahrani, A., Alghamdi, A., M. Shatla, I., El Shorbagi, A., Chaudhary, S., Mustafa, M. (2022). 'Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids', EKB Journal Management System, 1(1), pp. 50-54. doi: 10.21608/odr.2022.155742.1007
Mohamed, M., Aly, O., Alghamdi, S., Alquraini, A., Alzahrani, A., Alghamdi, A., M. Shatla, I., El Shorbagi, A., Chaudhary, S., Mustafa, M. Phytochemical and in silico study on Lupinus subcarnosus Hook, its effect on neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) and the major alkaloids. EKB Journal Management System, 2022; 1(1): 50-54. doi: 10.21608/odr.2022.155742.1007

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

Octahedron Drug Research
Article 5, Volume 1, Issue 1, September 2022, Page 50-54  XML PDF (713.14 K)
Document Type: Research Articles
DOI: 10.21608/odr.2022.155742.1007
View on SCiNiTO View on SCiNiTO
Authors
Mahmoud Mohamed1; Omar M. Alyorcid 2; Saleh Abdullah Alghamdi3; Ali Alquraini4; Abdulaziz Alzahrani5; Adel Alghamdi4; Ibrahim M. Shatla6; Abd El Nasser El Shorbagi7; Sachin Chaudhary7; Muhamad Mustafa email orcid 8
1Pharmacognosy Department, College of Clinical Pharmacy, Albaha University, Saudi Arabia
2Department of Medicinal Chemistry, Faculty of Pharmacy, Port Said University
3Clinical pharmacy department, College of Clinical Pharmacy,‬ ‪ ‬ ‪AlBaha University, Saudi Arabia‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬
4Pharmaceutical chemistry department, College of Clinical Pharmacy,‬ ‪AlBaha University, Saudi Arabia‬‬‬‬‬‬‬‬‬‬
5Pharmaceutical chemistry department, College of Clinical Pharmacy,‬ ‪ ‬ ‪AlBaha University, Saudi Arabia
6Department of Physiology, Damietta Faculty of Medicine, Al-Azhar University, Egypt
7Department of Medicinal Chemistry, Faculty of Pharmacy, Al Sharjah University, United Arab Emirates.
8IBMM, Univ. Montpellier, ENSCM, Montpellier, France
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.
Keywords
Leguminosae; lupin alkaloids; Smoking cessation; (nAChRs); Docking
Supplementary Files
Statistics
Article View: 264
PDF Download: 123