In Silico Analysis of Potential Drug Targets in E. coli as Anticancer Agents

D.S.V.G.K. Kaladhar; Aditi Tiwari

Abstract

Escherichia coli is a bacteria which grows as symbiotic and pathogenic organism in humans that expresses with genes causing several diseases. Manipulation and control of genes of E. coli can become a solution for cure of diseases like cancer. Based on QSAR studies, Partial partial charges are neutral for all selected ligands. The surface area, mass and volume for Capsaicin is predicted more compared to other selected ligands. As the Resveratrol resveratrol log P value is more (6.10); that means Resveratrol is more lipophilic in nature. Hydration energy and Polarizability polarizability was observed more for Terbinafine. The proteins like p53, BRCA1 and TMPRSS2 has have shown good interaction that promotes cancer. All the selected ligands (Capsaicin, Morphine, Nevirapine, Resveratrol and Terbinafine) were found to have good activity as anticancer agents ((phosphoprotein p53, BRCA1, BCAR 3 and TMPRSS2-ERG prostate cancer specific isoform 1).

Abstract

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