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Table 2 Clustering results obtained from docking of withaferin A into NEMO/IKKβ complex

From: Inhibition of the NEMO/IKKβ association complex formation, a novel mechanism associated with the NF-κB activation suppression by Withania somnifera’s key metabolite withaferin A

Receptor No. of
AutoDock clusters a, b
Cluster rankb No. of
structures in the cluster
Lowest binding
energy of cluster
Energy range
within cluster
   1 8 -19.33 -19.33 to -17.24
NEMO/IKKβ complex 4 (20) 2 8 -19.12 -19.12 to -16.53
   3 3 -18.6 -18.6 to -16.99
   4 1 -18.33 -18.33
  1. a Number of GA runs are shown in parentheses
  2. b Clustering is done with RMS tolerance of 5.0 Å