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This study attempts to identify and assess a novel marine-derived antibiofilm agent. The antibacterial activity of  n- hexane, dichloromethane, ethyl acetate, and butanol fractions from the crude extract of soft coral  Nephthea  sp. was evaluated against six microorganisms.Ethyl acetate fraction considered the most effective one against  Bacillus subtilis ,  Escherichia coli , and  Candida , investigated potential biofilm inhibition against the tested strains. Seventeen secondary metabolites were identified using (UPLC-Q/TOF-MS) responsible for these biological activities of the active fraction. Additionally, a molecular docking study showed free binding energy of −7.5 kcal/mol; Azamial A had the highest binding affinity for the DNA gyrase enzyme, while Sinularectin had −8.3 and −7.6 kcal/mol for the DHFR and HSP90 enzymes, respectively. Moreover, pharmacokinetics and (ADME) studies for Azamial A and Sinularectin were performed. Finally, results were confirmed by the  in vitro  enzymatic inhibitory effect of ethyl acetate fraction suggested in the  in-silico  study.

Nephthea sp. inhibits biofilm, DNA gyrase, HSP90, and DHFR: in vitro , in silico , and pharmacokinetics studies