Background
Penicillium
produces a wide range of structurally diverse metabolites with significant pharmacological impacts in medicine and agriculture. For the first time, a complete metabolome of
Penicillium claviforme
(
P. claviforme
) (FBP-DNA-1205) was studied alongside pharmacological research in this study.
Methods
The metabolic profile of
P. claviforme
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
in vitro
model was utilised to study the cytotoxic and antioxidant activities, while an
in vivo
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
P. claviforme
displayed significant cytotoxic activity
in vitro
, with an LD50 value of 92.22 µgml
−1
. The antinociceptive effects
in vivo
were dose-dependent significantly (
p
< .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
in silico
model.
Conclusion
Metabolic profile of
P. claviforme
shows the presence of biologically relevant compounds in ethyl acetate extract. In addition,
P. claviforme
exhibits substantial antioxidant and cytotoxic activities in an
in vitro
model as well as antinociceptive activity in an
in vivo
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 messages
The first time explored complete metabolome through GC-MS and LC-MS-QTOF.
Both
in vivo
&
in vitro
pharmacological investigation of
P. claviforme
.
In silico
molecular docking of LC-MS-QTOF metabolites.