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Purinergic receptors, also known as purinoceptors, are ligand gated membrane ion channels involved in many cellular functions. Among all identified purinergic receptors, P2X 7 subform is unique since it induces the caspase activity, cytokine secretion, and apoptosis. The distribution of P2X 7 receptors, and the need of high concentration of ATP required to activate this receptor exhibited...
In the present study, 3D‐QSAR analysis was performed on a set of 56 amino pyrimidine PKC‐θ inhibitors utilizing docking based alignment. The best 3D‐QSAR model exhibited the highest value of Q2 (0.825) and also displayed high values of R2 (0.937), F (184.600) and low SD (0.240). The selected model was validated by determining the Pearson‐r (0.915) for test set molecules. Docking simulation was carried...
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