tissue extract: bioactivity, chemical composition, and molecular docking.

CONTEXT

Deshayes (Muricidae) is widely distributed in the Red Sea. Its abundance and the history of Muricidae in traditional medicine make it a tempting target for investigation.

OBJECTIVE

To investigate the chemical profile and biological activities of tissue extracts.

MATERIALS AND METHODS

Methanol, ethanol, acetone, and ethyl acetate extracts from tissue were compared in their antioxidant by total antioxidant capacity, DPPH free radical scavenging, and total phenolic content. In addition, the antimicrobial, and antibiofilm properties (at 250 µg/mL) of the extracts were tested against , , , , , and . The antioxidant extract with greatest activity was assessed for cytotoxicity (range 0.4-100 µg/mL) against 3 human cancer cell lines (UO-31, A549 and A431), and its chemical composition was investigated using GC-MS. Moreover, docking simulation was performed to predict its constituents' binding modes/scores to the active sites of thymidylate kinase.

RESULTS

The ethyl acetate extract (-EtOAc) showed the highest total antioxidant capacity (551.33 mg AAE/g dry weight), total phenolics (254.46 mg GAE/g dry weight), and DPPH scavenging (IC= 24.0 µg/mL). -EtOAc exhibited strong antibacterial (MIC: 3.9 µg/mL against ), antibiofilm (MIC: 7.81 µg/mL against ), and antifungal (MIC: 3.9 µg/mL against ) activities and considerable cytotoxicity against cancer cells (UO-31: IC= 19.96 ± 0.93, A549: IC= 25.04 ± 1.15 μg/mL). GC-MS identified multiple bioactive metabolites in -EtOAc extract belonging to miscellaneous chemical classes. Molecular docking studies revealed that the constituents of -EtOAc have antibacterial potential.

DISCUSSION AND CONCLUSIONS

extract has considerable antimicrobial and cytotoxic activities. Further studies are needed to isolate the active constituents of this snail for comprehensive drug discovery tests.