Molecular Docking, Acute Toxicity and Antibacterial Study of Debilon and Phorbasterone-B Extracted from Rhodophyta

Title:Molecular Docking, Acute Toxicity and Antibacterial Study of Debilon and Phorbasterone-B Extracted from Rhodophyta

Volume: 21 Issue: 10

Author(s): Saad Salman*, Fahad Hassan Shah, Mehwish Shah and Song Ja Kim*

Affiliation:

• Department of Pharmacy, CECOS University of IT & Emerging Sciences, Peshawar, Pakistan

• Department of Biological Sciences, College of Natural Sciences, Kongju National University, Gongju, Republic of Korea

Keywords: Debilon, phorbasterone-B, molecular docking, swissADME, ADMET properties, antibacterial activity.

Abstract:

Introduction: Natural compounds obtained from marine algae, especially Rhodophyta are now being investigated for various biological activities. However, the antimicrobial activity and toxicity profile of compounds present in these algae isunderexplored.

Objective: This study procured two compounds, Debilon and Phorbasterone-B, from Rhodophyta to analyze their in silico and in vitro potential against pathogenic bacterial strains and their acute toxicity.

Methods: Debilon and Phorbasterone-B were extracted from Rhodophyta by a previously reported method and were further subsequently exploited computationally for their physicochemical properties, prediction of biological activity and molecular docking against bacterial proteins, toxicity, and experimentally for antibacterial potential against pathogenic strains of Vibrio cholera, Salmonella typhi, Escherichia coli, Enterococcus faecalis, Staphylococcus aureus, Bacillus subtilis, and Pseudomonas aeruginosa.

Results: Docking studies proved that these molecules possess a chemical affinity for the bacterial proteins and can inhibit the growth of these microorganisms, as confirmed by antibacterial assay. Whereas the prediction analysis and toxicity studies showed that the friendliness of these molecules to the human body is enormous.

Conclusion: From this study, it has been proved that DN and PB are perfect candidates for inhibiting these bacterial strains.

Cite this article as:

Salman Saad*, Shah Hassan Fahad, Shah Mehwish and Kim Ja Song*, Molecular Docking, Acute Toxicity and Antibacterial Study of Debilon and Phorbasterone-B Extracted from Rhodophyta, Letters in Drug Design & Discovery 2024; 21 (10) . https://dx.doi.org/10.2174/1570180820666230410100524