Abstract
Desert plants possess untapped potential for medicinal applications due to their rich phytochemical profiles. However, they need to be more explored. Thus, this study integrates advanced analytical, biochemical, and molecular techniques to investigate the phytochemical composition and biological activities (antimicrobial and antioxidant) of four desert plants (Pergularia tomentosa, Zygophyllum coccineum, Pulicaria undulata, and Ochradenus baccatus), collected from Wadi Sannor, Beni-Suef Governorate, Egypt, in March 2021. The volatile chemicals in the 70 % ethanol extracts of the selected plants were also analyzed using GC-MS. The extract exhibited strong antioxidant properties, as demonstrated by its FRAP (Ferric reducing ability of plasma) values, anti-lipid peroxidation, superoxide anion scavenging activity, and DPPH scavenging activity. Additionally, plants extracts showed high antimicrobial activities against seven pathogens, including three Gram-negative bacteria (Pseudomonas aeruginosa, Salmonella typhimurium, Escherichia coli) and four Gram-positive bacteria (Staphylococcus saprophyticus, Staphylococcus epidermidis, Enterococcus faecalis, Streptococcus salivarius). Lastly, molecular docking was conducted for cis-vaccenic acid, (E)-9-octadecenoic acid, the cyclohepta[b]furan-2-one scaffold, and URS-20(30)-en-3-ol against both the thymidylate kinase enzyme and the active sites of E. coli DNA gyrase. The results from the molecular docking studies showed a strong correlation with the biological data. Moreover, these compounds exhibited good, proposed absorption, distribution, metabolism, and excretion-toxicity (ADMET) profiles. Our study highlights the potential of P. tomentosa, Z. coccineum, P. undulata, and O. baccatus for future medical applications and the development of new pharmaceuticals derived from desert flora.