Term Paper1

Table of Contents
Abstract||2

reason:2

way out:2

cobblers last:2

Background||2

Kinase inhibitor stay puting station:3

Types of inhibitors:4

Discovering new kinase inhibitor:5

Tools:7

PDB ID:7

Method:7

Procedure:7

Result:8

Fasta sequence:8

Physiochemical properties:9

Binding site11

Docking results12

Discussion:75

Conclusion:76

Reference:77

Abstract||

Background:

Deregulation of kinase body process has emerged as a major mechanism by which cancer cubicle evade normal physiological constraints on growth and survival. To the meshing approximately 80 inhibitors have been advanced to several(prenominal) stages of clinical trials. Here I am working on some small molecules kinase inhibitors and predicting the best docked molecule which we can be use for further analysis of clinical trials.

Result:

We performed molecular docking simulation with twelve different analoges of akt inhibitor (ligand), into the active site: [N416,D546,G548,I579,L456,453,553,K435,M481,557,F547,S550,V465,549] of the PROTEIN KINASE enzyme and the activity was inferred by repressing models.



All ligands showed favorable interactions and most of them seemed to bind to hydrophobic amino acids serine in the p-loop. The inhibitory conformations were energetically and statistically favored.

Conclusion:

I demonstrated that in silico docking audition can be effectively carried out to recognize the inhibitory models of 1s9i with inhibitor molecules. Interestingly I found that number of docked clusters with each ligand varies in the some range and conveys that the binding specificity of each inhibitor varies for 1S9I. I besides identified that serine-550 of the enzyme plays an important role in hydrogen hold fast with inhibitors. This residue can be considered to being an active site for anti-cancer drug design. Therefore, by inhibiting 1S9I, one can, not only retain the cancer.

Background||

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