Identification of a small molecule inhibitor of serine 276 phosphorylation of the p65 subunit of NF-kappaB using in silico molecular docking.
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ABSTRACT:
SUBMITTER: Law M
PROVIDER: S-EPMC2849932 | biostudies-literature | 2010 May
REPOSITORIES: biostudies-literature
Publications
Identification of a small molecule inhibitor of serine 276 phosphorylation of the p65 subunit of NF-kappaB using in silico molecular docking.
Law Mary M Corsino Patrick P Parker Nicole Teoh NT Law Brian K BK
Cancer letters 20091111 2
NF-kappaB is activated in many types of cancer. Phosphorylation of p65 at serine 276 is required for the expression of a subset of NF-kappaB regulated genes, including vascular cell adhesion molecule-1 (VCAM-1) and interleukin-8 (IL-8). Thus, inhibition of serine 276 phosphorylation may prevent metastasis and angiogenesis in certain tumor types. Using in silico molecular docking, small molecules that are predicted to bind to a structural pocket near serine 276 were identified. One compound, NSC- ...[more]
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