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The binding mode of this kind of inhibitor remains unknown.
Structure activity relationships have been studied and binding mode of this chemical class has been proposed.
The binding mode of this series of indoles was predicted using CDOCKER algorithm.
The binding mode of this compound in tubulin was predicted using the molecular docking simulation.
The proposed binding mode of this new class of p38α inhibitors was confirmed by X-ray crystallographic studies of a representative inhibitor (6a) bound to the p38α enzyme.
A molecular modeling study was conducted in order to simulate the binding mode of this new family of enzyme inhibitors within the active site of hCA IX.
Similar(41)
With the aim to predict the most plausible binding mode of the identified inhibitors in this work and to rationalize their structure activity relationship (SAR), molecular docking was performed in the COX-2 active site.
The X-ray structural data demonstrate that the aromatic group (phenyl or fluorenyl) is what determines the binding mode of the TTR inhibitor in this series.
This unique binding mode of the Pd-pincer complexes and the bis-functional nature of the 4FDIBz and 8FDIBu leads to polymeric one-dimensional (1-D) zigzag strands.
This indicated differences in the binding mode of these compounds with APN and APA.
This was caused by the characteristic binding mode of the nucleotides.
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