Phytochemical identification and in silico study of ethanolic extract of white cabbage as a phosphodiesterase 1B inhibitor

Ahmad, Nazir and Lesa, Kaisun Nesa and Ujiantari, Navista Sri Octa and Sudarmanto, Ari and Ikawati, Zullies and Fakhrudin, Nanang (2023) Phytochemical identification and in silico study of ethanolic extract of white cabbage as a phosphodiesterase 1B inhibitor. Journal of HerbMed Pharmacology, 12 (4). 521 – 535. ISSN 23455004

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Abstract

Introduction: Memory dysfunction has remained a challenging issue globally. Nootropics have proven fruitful in managing cognitive dysfunction but because of their side effects, opportunities exist to explore alternatives. White cabbage is a cost-effective natural source of phytochemicals without side effects and has remained uninvestigated as a nootropic agent. This study sought to identify secondary metabolites in white cabbage extract (WCE) and to predict the molecular interaction between the phytochemical constituents of cabbage and phosphodiesterase-1B (PDE1B) using in silico studies. Methods: The WCE was prepared by macerating crushed fresh white cabbage with ethanol for 24 h with continuous stirring. The phytochemical profile of WCE was analyzed using thin layer chromatography (TLC)-densitometry, and molecular docking studies were performed to predict the underlying mechanism action of the phytochemicals with PDE1B. Results: The TLC-densitometry analysis showed that WCE was a rich source of sinigrin, whereas quercetin, chlorogenic acid, and rutin were not detected. In silico studies identified neobrassicin as having the highest affinity (∆Gbind: −19.3358 kcal/mol) for PDE1B. However, quercetin (∆Gbind: −13.1813 kcal/mol) and chlorogenic acid (∆Gbind: −14.8706 kcal/mol) exhibited moderate interaction with PDE1B. Conclusion: These results suggest that WCE has the potency to improve memory function by blocking PDE1B, and this preliminary study implies upcoming in vitro and in vivo research. © 2023 Nickan Research Institute. All rights reserved.

Item Type: Article
Additional Information: Cited by: 2; All Open Access, Gold Open Access
Uncontrolled Keywords: acetone; cabbage extract; chloroform; chlorogenic acid; deionized water; phosphodiesterase inhibitor; phytochemical; plant extract; quercetin; rutoside; sinigrin; sodium chloride; toluene; unclassified drug; Article; densitometry; memory disorder; molecular docking; molecular interaction; phytochemistry; thin layer chromatography; white cabbage
Subjects: R Medicine > RS Pharmacy and materia medica
Divisions: Faculty of Pharmacy
Depositing User: Sri JUNANDI
Date Deposited: 30 Oct 2024 20:45
Last Modified: 30 Oct 2024 20:45
URI: https://ir.lib.ugm.ac.id/id/eprint/6046

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