… of targets leading to the establishment of rational design of allosteric modulators as a new
… property of the protein conformational ensemble, allosteric drug design has the potential to …

… of rationally designed kinase inhibitors and their application in the management of malignancies.
Scheme 1 illustrates the interplay between different kinases in … kinase inhibitors [8-53]. …

… rationally design small molecules able to inhibit LIMK activity selectively, without affecting
other kinases. … (the so called DFG-out inactive conformation of kinases), thus providing a strong …

… The salt bridge between αC E501 and K483 is not present in this inactive conformation. f |
Example of a type 3 inhibitor binding mode in the kinase … Strategies for rational inhibitor design …

… The Type-I inhibitor binds to the DFG-in conformation and has no involvement in the R-spine…
-II inhibitor binds to the DFG-out conformation and the hydrophobic moiety of the inhibitor …

… In the current study, we introduce systematic computational analysis for the DFG-in conformation
of the Axl kinase to inhibit its activity using different sets of molecular docking algorithms …

… and inactive kinase conformations … for rational design of allosteric modulators, the authors
of this study opened an exciting avenue for future discovery of novel class of kinase inhibitors …

… of inhibitors represent the first set of kinase inhibitors that bind the active, DFG-out inactive,
and αC-helix-out conformations … kinase conformation impacts inhibitor binding and selectivity. …

… site with DFG-in conformation, while Type II inhibitors bind to protein kinase with the DFG …
target kinase inhibitors is conducive to the rational design of a dual- or even multi-target kinase …

… and bind into the highly conserved ATP binding site of kinases. The large number of PKs and
other type of ATP-binding … exhibited conserved binding conformation at the same protein [ …