Insilico Prediction of Multitarget Mechanism of Quinoline & Its Analogues on Phosphoinositide-3- Kinase Pathway Proteins

Abstract

Objective: Phosphoinositide 3-kinases (PI3Ks), the target of rapamycin (PI3K/Akt/mTOR, PAM, are a family of enzymes that play a role in the growth, proliferation, differentiation, motility, survival, and intracellular trafficking of cells, all of which are essential for healthy cellular function and are also connected to cancer. In this study, Quinoline and its derivatives were employed to analyse its inhibition activity on the phosphoinositide-3-kinase pathway. Methods: In this work, 8 phytocompounds from quinoline were chosen, and the PHOSPHOINOSITIDE-3-KINASE PATHWAY was analysed to assess their multitarget mechanism. The study was carried out computationally utilising PubChem as a data source and the molecular structures of the phytocompounds, as well as Indian medicinal plants, phytochemistry, and treatments. For the pharmacological evaluation of these drugs under the ADME properties for toxicity prediction, several additional approaches were applied. Results: The docking data revealed that eight analogues of quinoline were the most potent inhibitors for the proteins, Akt PBD 3MV5, PDK1 3RWQ, PIK3 3S2A and mTOR-4DRI. Conclusion: All of these bioactive compounds could be regarded as worthy candidates for the inhibition of the phosphoinositide-3-kinase pathway due to their high affinity for the protein.

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