The objective of the study was to identify a potential inhibitor for
Bifunctional Protein in Microcystisaeruginosa. The in silico modeling of the protein
using the “TBM” module of “Galaxy Seok Lab” extended the execution of virtual
screening using MTi open screen. Finally, the protein-ligand interaction was studied
using LIGPLOT software for “Bifunctional Protein” in “Microcystis aeruginosa.” The
virtual screening revealed 7176 compounds from the drug library, and the “best fit”
screening resulted in 1500 compounds. Among the 1500 compounds, the molecule
MK-3207 showed a better affinity towards the bifunctional Protein with -11.3Kcal/mol
binding energy.
Keywords: Aeruginosa, Bi, Blooms, Ligplot, Proteins.
