title: Oxasetin from Lophiostoma sp. of the Baltic Sea: identification, in silico binding mode prediction and antibacterial evaluation against fish pathogenic bacteria.
abstract: Because of the evolving resistance of microorganisms against existing antibiotics, there is an increasing need for new ones, not only in human, but also in veterinary medicine. The dichloromethane extract of a fungal strain of the genus Lophiostoma, isolated from driftwood collected from the coast of the Baltic Sea, displayed antibacterial activity against some fish pathogenic bacteria. Ergosterol epoxide (1), cerebroside C (2) and oxasetin (3) were isolated from the extract and structurally elucidated on the basis of spectroscopic data and chemical evidence. Compound 3 exhibited in vitro activity against Vibrio anguillarum, Flexibacter maritimus and Pseudomonas anguilliseptica with minimal inhibitory concentrations of 12.5, 12.5 and 6.25 microg/mL, respectively. Molecular docking studies were performed to understand the interaction of compound 3 with different macromolecular targets. Analysis of in silico results, together with experimental findings, validates the antimicrobial activity associated with compound 3. These results may be exploited in lead optimization and development of potent antibacterial agents.
authors.affiliation: Department of Pharmacognosy, Faculty of Pharmacy, Benghazi University, P.O. Box 5341, Benghazi, Libya. muftah.shushni@yahoo.com
authors.forename: Muftah Ali M
authors.initials: MA
authors.lastname: Shushni
authors.forename: Faizul
authors.initials: F
authors.lastname: Azam
authors.forename: Ulrike
authors.initials: U
authors.lastname: Lindequist
mesh_terms: D000818:Animals; D000900:Anti-Bacterial Agents / Q000737:chemistry / Q000302:isolation & purification*; D001203:Ascomycota / Q000737:chemistry*; D005393:Fish Diseases / Q000382:microbiology; D005399:Fishes / Q000382:microbiology; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D009281:Naphthalenes / Q000737:chemistry / Q000302:isolation & purification*; D011758:Pyrroles / Q000737:chemistry / Q000302:isolation & purification*
chemical_list: D000900:Anti-Bacterial Agents; D009281:Naphthalenes; D011758:Pyrroles; C469570:oxasetin