医薬品設計: オープンアクセス
オープンアクセス

概要

Repurposing of Modified Alpidem and Propoxyphene to Cure AURKA, BCAS1, GNAS and MLH1 Gene Mutations in Colorectal Cancer

Anum Munir, Shumaila Azam, Sartaj Ali, Azhar Mehmood, Abbas Hussain Shah, M Saad Khan, Rabbiah Manzoor, Maria Sana, Shakeel Ahmed Mufti and Sahar Fazal

Background: Colorectal cancer is a varied illness with an expected heritability of 25–30%. Many CRC disorders occur because of solid family history, a high penetrance of the infection, and developing various tumors at an early age. A few novel genes are recognized that shows associations with CRC, such as AURKA, BCAS1, GNAS and MLH1.

Material and methods: In this research work FDA rejected Alpidem and Propoxyphene were selected. Drugs were changed on the basis of side effects; modified drugs were docked with AURKA, BCAS1, GNAS and MLH1 proteins and QSAR analysis was performed.

Results: Docked and QSAR results demonstrated the better interaction of both modified Alpidem and Propoxyphene along with proteins of CRC causing genes. The toxicity value and side-effects of modified Alpidem and modified Propoxyphene are less than original drugs.

Conclusion: The fewer side effects and docking results of both modified Alpidem and Propoxyphene suggest that both the drugs can be used to cure mutations of genes in colorectal cancer as both modified drugs have fewer side-effects and toxicity, as compared to original drugs, both drugs have demonstrated greater interactions with the amino acid residues lying in the pockets of mutated proteins that demonstrates their stability and soundness.