LC-MS-qTOF analysis and biological evaluation of Chrozophora tinctoria extracts: A novel attempt at integrating in vitro and in silico approaches

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60460709%3A41320%2F25%3A102251" target="_blank" >RIV/60460709:41320/25:102251 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.fitote.2025.106740" target="_blank" >https://doi.org/10.1016/j.fitote.2025.106740</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.fitote.2025.106740" target="_blank" >10.1016/j.fitote.2025.106740</a>

Jazyk výsledku

angličtina

Název v původním jazyce

LC-MS-qTOF analysis and biological evaluation of Chrozophora tinctoria extracts: A novel attempt at integrating in vitro and in silico approaches

Popis výsledku v původním jazyce

This manuscript investigates the phytochemical composition and biological potential of Chrozophora tinctoria extracts obtained with solvents of different polarities (ethyl acetate, ethanol, 70 % ethanol, and water). Comprehensive in vitro analyses revealed that ethanol and ethyl acetate extracts had the highest levels of phenolic and flavonoid compounds, which corresponded with strong antioxidant activity and significant inhibitory effects on key enzymes such as acetylcholinesterase, butyrylcholinesterase, alpha-amylase, alpha-glucosidase, and tyrosinase. Cytotoxicity tests on several human cell lines showed that the plant species tested did not exhibit cytotoxic activity. LC-MS-qTOF analysis identified bioactive components, with apigenin emerging as one of the most interesting compounds. An integrated in silico approach involving network pharmacology, molecular docking, and molecular dynamics simulations revealed strong and stable interactions between apigenin and therapeutic targets involved in neurodegenerative and metabolic processes. These findings could serve as an outline for future studies on the medicinal plant's potential.

Název v anglickém jazyce

LC-MS-qTOF analysis and biological evaluation of Chrozophora tinctoria extracts: A novel attempt at integrating in vitro and in silico approaches

Popis výsledku anglicky

This manuscript investigates the phytochemical composition and biological potential of Chrozophora tinctoria extracts obtained with solvents of different polarities (ethyl acetate, ethanol, 70 % ethanol, and water). Comprehensive in vitro analyses revealed that ethanol and ethyl acetate extracts had the highest levels of phenolic and flavonoid compounds, which corresponded with strong antioxidant activity and significant inhibitory effects on key enzymes such as acetylcholinesterase, butyrylcholinesterase, alpha-amylase, alpha-glucosidase, and tyrosinase. Cytotoxicity tests on several human cell lines showed that the plant species tested did not exhibit cytotoxic activity. LC-MS-qTOF analysis identified bioactive components, with apigenin emerging as one of the most interesting compounds. An integrated in silico approach involving network pharmacology, molecular docking, and molecular dynamics simulations revealed strong and stable interactions between apigenin and therapeutic targets involved in neurodegenerative and metabolic processes. These findings could serve as an outline for future studies on the medicinal plant's potential.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10602 - Biology (theoretical, mathematical, thermal, cryobiology, biological rhythm), Evolutionary biology

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Fitoterapia

ISSN

0367-326X

e-ISSN

0367-326X

Svazek periodika

185

Číslo periodika v rámci svazku

SEP 2025

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

19

Strana od-do

1-19

Kód UT WoS článku

001540502400001

EID výsledku v databázi Scopus

2-s2.0-105011064746