Phytochemical Screening, Phytotoxic Effects and In Silico Studies of Zilla Spinosa L. and Farsetia Aegyptia Turra Extracts Growing in Hail Region

In allelopathy phenomenon, plants produce allelochemicals that influence the development and growth of neighboring species, and donate important natural alternatives for weed management in agriculture. Our work aims to study the phytotoxic potential of Zilla spinosa and Farsetia aegyptia chloroform, ethanol, and water extracts on Triticum aestivum, Rhaphanus sativus and Spinacia oleracea seeds. The chemical composition of the most active samples and the in silico study were also performed. Gas Chromatography-Mass Spectrometry is used to identify the allelochemicals. The molecular docking against 4-hydroxyphenylpyruvate dioxygenase (HPPD) protein is involved. Ethanol extracts presented an important suppression against seeds growth. Radish seeds' epicotyl length was completely inhibited by F. aegyptia ethanolic extract at 10 mg mL(-1). The chromatographic analysis revealed 16 phytocompounds, for the first time. The major compounds detected in F. aegyptia ethanolic extract were palmitic acid (32.38%), and 13-Docosenamide, (Z)-(18.73%). Palmitic acid was also the major compound in Z. spinosa ethanolic extract (17.12%) followed by Tetracosamethyl-cyclododecasiloxane (14.75%). Allelochemicals found in these species were highly phytotoxic on seed germination and seedling growth of crops tested. The docking outcomes indicate that the docked major phytocompounds interacted favorably with the receptor especially for "9,19-Cyclolanost-24-en-3-ol, (3.beta.)-" which was found to be the most effective ligand by displaying the best docking score (-9.5 kcal mol(-1)) and by exhibiting many interesting interactions. Significant results were obtained especially with Z. spinosa phytocompounds. This finding, led to the discovery of herbicide likeness rules that make it simpler to design and produce new herbicide agents.