Sentence examples for binding mode with the from inspiring English sources
Compound 11 binds to TTR in the forward binding mode, with the carboxylate-substituted hydrophilic chain oriented in the outer binding pocket to interact with Lys15 and Lys15' (Figures 6a and 6c).
The X-ray crystal structures of 6 and 7 with hDHFR reveal, for the first time, that tricyclics 6 and 7 bind with the benzo[4,5]thieno[2,3-d]pyrimidine benzo[4,5]thieno[2,3-d]pyrimidineith the thieno S mimicking the 4-amino of methotringte.
Their binding mode with the target enzyme was clarified by molecular docking.
A few of these new ligands were crystallized with the protein and demonstrated a specific binding mode with the protein.
Modeling of these inhibitors revealed the same overall binding mode with the enzyme as triclosan, but the B-ring modifications have additional interactions with the strongly conserved Asn130.
Its molecular-level binding mode with the three-dimensional structure of MAO-B was elucidated using an in silico docking study.
They also show similarities in the binding mode with that of the natural caspase inhibitor XIAP (X-linked inhibitor of apoptosis).
In contrast, S2 displays a similar binding mode with that from the crystal structure, and TGZ is in contact with Arg106, C117, R126, and Y128, not Phe57.
Furthermore, there is no means to incorporate protein-specific information which additionally captures interaction details of different experimentally observed binding modes with the target protein under consideration.
Finally, molecular modeling studies were performed through docking of the synthesized compounds in the HCV NS3/4A protease active site to assess their binding modes with the enzyme and gain further insight into their structure activity relationships.
