Journal: Scientific Reports
Article Title: A molecular analysis of substituted phenylethylamines as potential microtubule targeting agents through in silico methods and in vitro microtubule-polymerization activity
doi: 10.1038/s41598-023-41600-9
Figure Lengend Snippet: A stick and ball representation using Pymol of docked colchicine, 25B-NBF, and 25C-NBF, DMBMPP and the crystal structure of colchicine. The docked structure of colchicine, 25B-NBF, 25C-NBF and DMBMPP follows this atomic coloring scheme: C: yellow, O: red, N: blue, Cl: green, Br: maroon, FL: light blue. ( A ) Colchicine (yellow) in a docked pose (left), and the overlay of the crystal pose of colchicine (grey) from PDB 4O2B and the docked colchicine (yellow)(right), RMSD = 0.2593 Å. ( B ) The docked pose of 25B-NBF (yellow) (left), and the overlay of the crystal pose of colchicine (grey) and the docked 25B-NBF (yellow)(right). ( C ) The docked pose of 25C-NBF (yellow) (left), and the overlay of the crystal pose of colchicine (grey) and the docked 25C-NBF (yellow) (right). ( D ) The docked pose of DMBMPP (yellow) (left), and the overlay of the crystal pose of colchicine (grey) and the docked DMBMPP (yellow) (right).
Article Snippet: The Protein Databank structure PDB 4O2B was used to model the tubulin-colchicine complex.
Techniques: