A ChemDraw software (version 20) was used to draw the compounds and saved as MOL files. The optimization of the 3D structure of the 39 lamellarin-derived pyrrole marine alkaloids was performed with the Gaussian 09 program using the hybrid method B3LYP and the base set 6-31G (d,p). The software program OpenBabel (version 2.3.1) was used to convert the MOL2 files to PDBQT files. enzymes was performed by regulating the genetic algorithm (GA) parameters, using 10 runs of the GA criteria. The docking binding poses were visualized with PyMOL Molecular Graphics System, Version 2.0 Schrödinger, LLC, UCSF Chimera , and LigPlot + v.2.2.5 .