Isolation, characterization, and multimodal evaluation of novel glycolipid biosurfactant derived from Bacillus species : A promising Staphylococcus aureus tyrosyl-tRNA synthetase inhibitor through molecular docking and MD simulations

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Glycolipid-based biosurfactants (BSs), known for their intriguing and diverse properties, represent a largely uncharted territory in the realm of potential biomedical applications. This field holds great promise yet remains largely unexplored. This investigation provides new insights into the isolation, characterization, and comprehensive biomedical assessment of a novel glycolipid biosurfactant derived from Bacillus species, meeting the growing demand for understanding its multifaceted impact on various biomedical issues. Within this framework, two glycolipids, BG2A and BG2B, emerged as the most proficient strains in biosurfactant (BS) production. The biosurfactants (BSs) ascertained as glycolipids via thin layer chromatography (TLC) exhibited antimicrobial activity against S. aureus and E. coli. Both isolates exhibited anticancer effects against cervical carcinoma cells and demonstrated significant anti-biofilm activity against V. cholerae. Moreover, molecular docking and molecular dynamics (MD) simulations were employed to explore their antimicrobial resistance properties against Tyrosyl-tRNA synthetase (TyrRS) of Staphylococcus aureus, a well-annotated molecular target. Characterization and interpretation using Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance spectroscopy (1H and 13C NMR) confirmed that the BSs produced by each strain were glycolipids. These findings suggest that the isolated BSs can serve as effective agents with antibiofilm, antimicrobial, antioxidant, and anticancer properties, in addition to their considerable antibacterial resistance attributes.

Medienart:

E-Artikel

Erscheinungsjahr:

2024

Erschienen:

2024

Enthalten in:

Zur Gesamtaufnahme - volume:261

Enthalten in:

International journal of biological macromolecules - 261(2024), Pt 2 vom: 31. März, Seite 129848

Sprache:

Englisch

Beteiligte Personen:

Das, Rohit Pritam [VerfasserIn]
Sahoo, Subhadarsini [VerfasserIn]
Paidesetty, Sudhir Kumar [VerfasserIn]
Ahmad, Iqrar [VerfasserIn]
Sahoo, Banishree [VerfasserIn]
Jayabaskaran, C [VerfasserIn]
Patel, Harun [VerfasserIn]
Arakha, Manoranjan [VerfasserIn]
Pradhan, Arun Kumar [VerfasserIn]

Links:

Volltext

Themen:

Anti-Infective Agents
Anticancer
Biosurfactant
EC 6.1.1.1
Glycolipids
Journal Article
Molecular docking
Simulation
Surface-Active Agents
Tyrosine-tRNA Ligase

Anmerkungen:

Date Completed 13.03.2024

Date Revised 13.03.2024

published: Print-Electronic

Citation Status MEDLINE

doi:

10.1016/j.ijbiomac.2024.129848

funding:

Förderinstitution / Projekttitel:

PPN (Katalog-ID):

NLM36791400X