Thais savignyi tissue extract: bioactivity, chemical composition, and molecular docking

Theodor Bilharz Research Institute

Bibliographic Information

Authors: Habib M.R.; Hamed A.A.; Ali R.E.M.; Zayed K.M.; Gad El-Karim R.M.; Sabour R.; Abu El-Einin H.M.; Ghareeb M.A.

Journal: Pharmaceutical Biology

Publisher: Taylor and Francis Ltd.

Publication Date: 6 October 2022

Volume / Issue: Volume 60 / Issue 1

Pages: 1899–1914

ISSN: 13880209

DOI: 10.1080/13880209.2022.2123940

Scopus: View on Scopus

PubMed: 36200747

Document Type: Article

Access: All Open Access; Gold Open Access; Green Open Access

Authors and Affiliations

Habib M.R., Medical Malacology Department, Theodor Bilharz Research Institute, Giza, Egypt; Hamed A.A., Microbial Chemistry Department, National Research Center, Giza, Egypt; Ali R.E.M., Medical Malacology Department, Theodor Bilharz Research Institute, Giza, Egypt; Zayed K.M., Medical Malacology Department, Theodor Bilharz Research Institute, Giza, Egypt; Gad El-Karim R.M., Medical Malacology Department, Theodor Bilharz Research Institute, Giza, Egypt; Sabour R., Pharmaceutical Medicinal Chemistry and Drug Design Department, Faculty of Pharmacy (Girls), Al-Azhar University, Cairo, Egypt; Abu El-Einin H.M., Medical Malacology Department, Theodor Bilharz Research Institute, Giza, Egypt; Ghareeb M.A., Medicinal Chemistry Department, Theodor Bilharz Research Institute, Giza, Egypt

Abstract

Context: Thais savignyi 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 T. savignyi tissue extracts. Materials and methods: Methanol, ethanol, acetone, and ethyl acetate extracts from T. savignyi 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 Escherichia coli, Pseudomonas aeruginosa, Proteus vulgaris, Klebsiella pneumoniae, Staphylococcus aureus, and Candida albicans. 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 (Ts-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 (IC50= 24.0 µg/mL). Ts-EtOAc exhibited strong antibacterial (MIC: 3.9 µg/mL against K. pneumoniae), antibiofilm (MIC: 7.81 µg/mL against S. aureus), and antifungal (MIC: 3.9 µg/mL against C. albicans) activities and considerable cytotoxicity against cancer cells (UO-31: IC50= 19.96 ± 0.93, A549: IC50= 25.04 ± 1.15 μg/mL). GC-MS identified multiple bioactive metabolites in Ts-EtOAc extract belonging to miscellaneous chemical classes. Molecular docking studies revealed that the constituents of Ts-EtOAc have antibacterial potential. Discussion and conclusions: T. savignyi extract has considerable antimicrobial and cytotoxic activities. Further studies are needed to isolate the active constituents of this snail for comprehensive drug discovery tests. © 2022 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.

Keywords

antimicrobial; Antioxidant; bioactive compounds; cytotoxicity; marine snails; Acetates; Acetone; Anti-Bacterial Agents; Anti-Infective Agents; Antifungal Agents; Antioxidants; Ethanol; Free Radicals; Humans; Methanol; Microbial Sensitivity Tests; Molecular Docking Simulation; Phenols; Plant Extracts; Staphylococcus aureus; Thailand; Tissue Extracts; acetic acid ethyl ester; alcohol; animal extract; tissue extract; acetic acid; antifungal agent; antiinfective agent; free radical; phenol derivative; plant extract; A-431 cell line; A-549 cell line; antimicrobial activity; antioxidant activity; Article; biological activity; Candida albicans; chemical fingerprinting; controlled study; DPPH radical scavenging assay; drug analysis; drug binding; dry weight; Escherichia coli; gastropod; human; human cell; IC50; Klebsiella pneumoniae; mass fragmentography; minimum inhibitory concentration; molecular docking; nonhuman; prediction; Proteus vulgaris; Pseudomonas aeruginosa; Thais savignyi; total antioxidant capacity; UO-31 cell line; chemistry; microbial sensitivity test

Citation Information

Scopus Citations: 22

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