Phytochemical analysis of hydromethanolic extract and its fractions of myrtus communis leaves from Skikda, Algeria: LC-MS/MS analysis, antioxidant capacities, in-vitro and in silico assessment of anticholinesterase and antidiabetic activities

<p style="line-height:200%;margin-bottom:.0001pt;text-align:justify;"><a name="_Hlk175769890"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">This study aimed to investigate in vitro the antioxidant, antidiabetic, anticholinesterase activities, and molecular docking, as well as LC-ESI-MS/MS analysis of hydromethanolic extract, ethyl acetate and N-butanol fractions from </span><em><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">Myrtus communis</span></em><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> leaves. </span></a><a name="_Hlk175760792"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">LC-MS/MS analysis was conducted using 30 standards</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">. The antioxidant activity was carried out using Ferric reducing power, ABTS</span><span style="color:black;font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"><sup>•+</sup></span><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">, DPPH</span><span style="color:black;font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"><sup>•</sup></span><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">, Silver Nanoparticles and phenanthroline methods. LC-ESI-MS/MS analyses of the hydromethanolic extract revealed high contents of gallic acid (278.150 </span><a name="_Hlk169285037"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">µg</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> L<sup>-1</sup>) and luteolin (</span><a name="_Hlk169285132"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">112.214 µg</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> L<sup>-1</sup>). The main constituents of ethyl acetate fraction were gallic acid (1502.228 µg L<sup>-1</sup>), </span><a name="_Hlk169285104"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">epigallocatechin</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> (1204.629 </span><a name="_Hlk169286120"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">µg</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> L</span><a name="_Hlk176098326"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"><sup>-1</sup></span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">) and catechin (410.925 µg L<sup>-1</sup>). In the N-butanol fraction, shikimic acid (2425.644 µg L<sup>-1</sup>), and gallic acid (220.417 µg L<sup>-1</sup>) were the primary constituents. Based on the antioxidant results, the extract and fractions demonstrated remarkable antioxidant activity. The most effective was ethyl acetate fraction with IC<sub>50</sub> value inferior to 10 µg mL<sup>-1</sup> against all tests used. Concerning the inhibition of cholinesterase,</span><a name="_Hlk168014950"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> the hydromethanolic extract exhibited an interesting inhibitory effect against </span></a><a name="_Hlk169713530"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">acetylcholinesterase (IC<sub>50</sub>= 22.82 µg mL<sup>-1</sup>) and butyrylcholinesterase</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"> (IC<sub>50</sub>= 10.70 µg mL<sup>-1</sup>). The extract and fractions showed significant inhibition </span><a name="_Hlk168073322"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">against alpha amylase and alpha glucosidase, with IC<sub>50 </sub>ranging from 10.67 to </span></a><a name="_Hlk167723299"><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US">28.55 µg mL</span></a><span style="font-family:"Times New Roman","serif";font-size:12.0pt;line-height:200%;" lang="EN-US"><sup>-1</sup> and 3.45 to 5.05 µg mL<sup>-1</sup>, respectively. The docking study showed that gallic acid exhibited the most favorable binding energy towards α-glucosidase. Conversely, Catechin demonstrated superior binding energies for AChE, BChE, and α-amylase. In conclusion, this plant could be a valuable source of bioactive compounds with potential applications in prevention of many diseases linked to oxidative stress. </span></p>