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the critical amino acids in USP7 binding site, which would be helpful in designing an inhibitor. Afterwards, I started looking for protein-protein interaction of USP7 and found β-catenin to be its potential interactor and their association leads to colorectal cancer. So, either USP7 can be inhibited directly or the association of USP7-β-catenin can be stopped, which potentially impacts this cancer. Exploiting all information, we have performed virtual screening of ~5.7 million compounds (in house) on USP7 binding site and they are
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showing positive computational data, which are currently under in-vitro evaluation. Overall, the atomistic information elucidated from my work will provide meaningful molecular level insights for rationally structure-guided inhibitor designing.
After spending years on my Ph.D., the “title” question for me now was: Have I understood the protein? And honestly, I can say, “Maybe Yes”, but why do I say “Maybe”, because they are still very complex.
Research and learning never ends...!!!