Designing an Inhibitor Molecule to Combat Cancer through the  Inhibition of Mutant PI3K (P110 α) Subunit Protein

Ismail Fadil

doi:10.54172/mjsc.1381

Authors

Ismail Fadil Department of Microbiology, Omar Al Mukhtar University, Libya

DOI:

https://doi.org/10.54172/mjsc.1381

Keywords:

PI3k, Modeller, Molecular, Docking, PyRx

Abstract

The PI3K pathway is implicated in the development of various cancers, and the P110 α subunit is commonly mutated in human carcinogenesis, leading to altered regulation of cell proliferation and malignant transformation. In this paper, a computational tools are increasingly used to predict potential anticancer inhibitor molecules. This study used Ramachandran map analysis to confirm stable conformations of PI3K (P110α) subunit protein models, which exhibited active sites near the mutational site. Molecular docking studies using PyRX software identified four best inhibitors derivatives with the lowest docking energies for blocking the mutated PI3K (P110 α) subunit protein conformations, and they were satisfied the Lipinski’s rule of five.

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