23 DOI: https://doi.org/10.1016/j.jgeb.2026.100707 English eng Jia Jun Chuah Contributor <div class="abstract author" id="as005" style="margin: 0px 0px 8px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><h3 class="u-h4 u-margin-m-top u-margin-xs-bottom" id="st010" style="margin-right: 0px; margin-left: 0px; padding: 0px; margin-top: 24px !important; margin-bottom: 8px !important; font-size: 20px !important; line-height: 30px !important;">Background</h3><div class="u-margin-s-bottom" id="sp0005" style="margin-top: 0px; margin-right: 0px; margin-left: 0px; padding: 0px; margin-bottom: 16px !important;"><em style="margin: 0px; padding: 0px;">Gastrodia elata</em> is commonly used in Eastern traditional medicine, mainly for disorders and ailments related to the central nervous system. The main active phytochemical compound is gastrodin, and it has been shown to possess many neuroprotective properties. There is a lack of systematic correlation between phytochemical profiling and computational modeling. Hence, the present study was planned to investigate the phytochemical profiling of the rhizome of <em style="margin: 0px; padding: 0px;">G. elata</em>, evaluate its antioxidant potential, conduct molecular docking studies against biological targets related to oxidative stress and neurodegeneration, prediction of pharmacokinetic properties of gastrodin and understanding the link between phytochemical composition and pharmacological mechanisms.</div></div><div class="abstract author" id="as010" style="margin: 0px 0px 8px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><h3 class="u-h4 u-margin-m-top u-margin-xs-bottom" id="st015" style="margin-right: 0px; margin-left: 0px; padding: 0px; margin-top: 24px !important; margin-bottom: 8px !important; font-size: 20px !important; line-height: 30px !important;">Materials and methods</h3><div class="u-margin-s-bottom" id="sp0010" style="margin-top: 0px; margin-right: 0px; margin-left: 0px; padding: 0px; margin-bottom: 16px !important;">Powdered of dried <em style="margin: 0px; padding: 0px;">Gastrodia elata</em> rhizomes was extracted with ethanol using the hot percolation method. A confirmatory quantitative analysis was performed to determine the concentration of phenolic and flavonoid compounds present. Gas chromatography-mass spectrometry analysis was conducted to identify the compounds present in the extract. FTIR spectral data of the ethanolic extract of <em style="margin: 0px; padding: 0px;">Gastrodia elata</em> (EEGE) were obtained using a Fourier transform infrared instrument and compared with a reference standard to determine the functional groups present. The antioxidant capacity in EEGE were identified using the DPPH radical scavenging method. The main active compound of <em style="margin: 0px; padding: 0px;">Gastrodia elata</em>, is gastrodin. The canonical simplified molecular-input line-entry system (SMILES) format is used for biological activity prediction via online platforms. Molecular docking of gastrodin was performed using Auto Dock version 4.2. Pharmacokinetic and toxicological activities for gastrodin were conducted using the online web tools pkCSM and ProTox 3.0.</div></div><div class="abstract author" id="as015" style="margin: 0px 0px 8px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><h3 class="u-h4 u-margin-m-top u-margin-xs-bottom" id="st020" style="margin-right: 0px; margin-left: 0px; padding: 0px; margin-top: 24px !important; margin-bottom: 8px !important; font-size: 20px !important; line-height: 30px !important;">Results</h3><div class="u-margin-s-bottom" id="sp0015" style="margin-top: 0px; margin-right: 0px; margin-left: 0px; padding: 0px; margin-bottom: 16px !important;">The EEGE showed the presence of alkaloids, saponins, flavonoids, glycosides, terpenoids and phenolic compounds, but the absence of steroid compounds. GC–MS analysis showed that ethane, 1,1-diethoxy- presented the highest probability and peak percentage. FTIR spectral analysis showed similarities and differences in the chemical profiles between the gastrodin standard and EEGE. Results showed both EEGE and gastrodin standard exhibited absorption peaks at 3222.33 cm<span style="margin: 0px; padding: 0px; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; top: -0.5em;">−1</span> (hydroxyl stretch), supporting the presence of gastrodin in the ethanolic extract. PASS prediction analysis for EEGE’s bioactive compound, gastrodin, showed a wide range of potential pharmacological activities with high probability scores (Pa > 0.6). The highest predicted probabilities were vasoprotective, anti-infective, cholesterol antagonistic and cardioprotective activities.</div></div><div class="abstract author" id="as020" style="margin: 0px 0px 8px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><h3 class="u-h4 u-margin-m-top u-margin-xs-bottom" id="st025" style="margin-right: 0px; margin-left: 0px; padding: 0px; margin-top: 24px !important; margin-bottom: 8px !important; font-size: 20px !important; line-height: 30px !important;">Conclusion</h3><div class="u-margin-s-bottom" id="sp0020" style="margin-top: 0px; margin-right: 0px; margin-left: 0px; padding: 0px; margin-bottom: 16px !important;">This study confirms the presence of gastrodin as the major bioactive compound from <em style="margin: 0px; padding: 0px;">Gastrodia elata</em> rhizomes and attributes strong antioxidant and neuroprotective potential to it. Integrated phytochemical, <em style="margin: 0px; padding: 0px;">in silico</em>, and pharmacokinetic analyses support its traditional use in CNS-related disorders and highlight gastrodin as a promising and safe therapeutic candidate for oxidative stress and neurodegenerative conditions.</div></div> Elsevier September 2026 pdf Journal of Genetic Engineering and Biotechnology Revealing the potential of Gastrodia elata as a therapeutic candidate for degenerative diseases mixed material Elsevier