Metabolic and pharmacological profiling of by a combination of experimental and bioinformatic approaches.

Background: produces a wide range of structurally diverse metabolites with significant pharmacological impacts in medicine and agriculture. For the first time, a complete metabolome of () (FBP-DNA-1205) was studied alongside pharmacological research in this study.

Methods: The metabolic profile of fermented on Potato Dextrose Broth (PDB) was investigated in this work. The complete metabolomics studies of fungus were performed using GC-MS and LC-MS-QTOF techniques. An model was utilised to study the cytotoxic and antioxidant activities, while an model was employed to investigate the antinociceptive and acute toxicity activities. Molecular Operating Environment (MOE) software was used for molecular docking analysis.

Results: GC-MS study showed the presence of alkanes, fatty acids, esters, azo and alcoholic compounds. Maculosin, obtain, phalluside, quinoline, 4,4'-diaminostilbene, funaltrexamine, amobarbital, and fraxetin were among the secondary metabolites identified using the LC-MS-QTOF technique. The n-hexane fraction of displayed significant cytotoxic activity , with an LD50 value of 92.22 µgml. The antinociceptive effects were dose-dependent significantly ( < .001). Interestingly, during the 72 h of investigation, no acute toxicity was demonstrated. In addition, a docking study of tentatively identified metabolites against the inflammatory enzyme (COX-2) supported the antinociceptive effect in an model.

Conclusion: Metabolic profile of shows the presence of biologically relevant compounds in ethyl acetate extract. In addition, exhibits substantial antioxidant and cytotoxic activities in an model as well as antinociceptive activity in an model. The antinociceptive action is also supported by a molecular docking study. This research has opened up new possibilities in the disciplines of mycology, agriculture, and pharmaceutics. Key messagesThe first time explored complete metabolome through GC-MS and LC-MS-QTOF.Both & pharmacological investigation of . molecular docking of LC-MS-QTOF metabolites.