جۆری توێژینه‌وه‌: Original Article

نوسه‌ر

Faculty of Education, Soran University, Soran, Kurdistan Region, Iraq

پوخته‌

Akt is a serine/threonine protein kinase that has a central role in sustaining cell
survival and growth in health and disease. In this study we aimed to uncover the best
inhibitor, among the commercially available ones, for targeting Akt by predicting
their specificity and potency using docking software AutoDock Vina. Our data
revealed that the studied inhibitors had different energy requirements to perform
successful docking with Akt, as Akti-1/2 inhibitor showed first highest docking score
with -15.2 kcal/mol and GSK 690693 inhibitor showed second highest docking sores
with -10.0 kcal/mol. However, Perifosine showed the lowest docking scores with -7.5
kcal/mol. Interaction studies also confirmed that Akti-1/2, the inhibitor with the
highest docking score, have been seen to build hydrogen bonds, build electrostatic
and hydrophobic interactions and conquer the affinity of the most favorable binding
pockets when bound with Akt. Due to their specific binding and potency, we
recommend Akti-1/2 and GSK 690693 as the first and second best inhibitors for
targeting Akt, respectively. Further in vitro and in vivo studies are required to confirm
these results.

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