Open Access Open Access  Restricted Access Subscription or Fee Access

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

DSVGK 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).


Keywords


Escherichia coli, p53, BRCA1, BCAR 3 and TMPRSS2-ERG, drug targets

Full Text:

PDF

References


Sogin ML, Morrison HG, Huber JA, et al. Microbial diversity in the deep sea and the underexplored “rare biosphere”, Proceedings of the National Academy of Sciences. 2006; 103(32): 12115-12120.

Almnan A, ALseed SF. Isolation of Klebseilla species From Houseflies (Musca domestica) Collected From Health Facilities and Flies Breeding Sites in Wad Madani, Gezira State, Sudan (2016) (Doctoral dissertation, University of Gezira).

Edberg SCL, Rice EW, Karlin RJ, ET AL. Escherichia coli: the best biological drinking water indicator for public health protection. Journal of applied microbiology, 2000; 88(S1): 106S-116S.

Armstrong GL, Hollingsworth J, Morris Jr, JG. Emerging foodborne pathogens: Escherichia coli O157: H7 as a model of entry of a new pathogen into the food supply of the developed world. Epidemiologic reviews. 1996; 18(1): 29-51.

Acheson D, Hohmann EL. Nontyphoidal salmonellosis. Clinical Infectious Diseases, 2001; 32(2): 263-269.

Hong HA, Duc LH, Cutting SM. The use of bacterial spore formers as probiotics. FEMS microbiology reviews. 2005; 29(4): 813-835.

Novik G, Savich V. Beneficial Lactic Acid Bacteria. Pocket Guide to Bacterial Infections. 2019; 225.

Sarmidi MR, El Enshasy HA. Biotechnology for wellness industry: Concepts and biofactories. International Journal of Biotechnology for Wellness Industries. 2012; 1(1): 3-30.

Pandey A, Mann M. Proteomics to study genes and genomes. Nature. 2000; 405(6788): 837.

Bugata BK, Dowluru K, Avupati VR. Computational Virtual Screening of Sulfonylurea chalcones as New Class of 5-Lipoxygenase Inhibitors by Molecular Docking Studies. International Journal of Computer Applications. 2013; 78(13): 44-47.

Ferrari S, Pellati F, Costi MP. Protein–protein interaction inhibitors: Case studies on small molecules and natural compounds. In Disruption of Protein-Protein Interfaces (pp. 31-60). Springer, Berlin, Heidelberg. 2013.

Reddy AS, Zhang S. Polypharmacology: drug discovery for the future. Expert review of clinical pharmacology. 2013; 6(1): 41-47.

Kaladhar DS, Supriya AM, Govinda RD, et al. Predicting molecular interactions in silico: hhex-drug docking approaches on D2M. Journal of Advanced Bioinformatics Applications and Research. 2011; 2(3): 177-182.

Kumari S, Kaladhar DSVGK, Solmon KS, et al. Anti-proliferative and metastatic protease inhibitory activities of protoberberines: An in silico and in vitro approaches. Process Biochemistry. 2013; 48(10): 1565-1571.

Palaniappan L, Mukherjea A, Holland A, et al. Leading causes of mortality of Asian Indians in California. Ethnicity & disease, 2010;. 20(1): 53.

Vogelstein B, Lane D, Levine AJ. Surfing the p53 network. Nature. 2000;. 408(6810): 307.

Couch FJ, Weber BL. Mutations and polymorphisms in the familial early‐onset breast cancer (BRCA1) gene. Human mutation. 1996; 8(1): 8-18.

van Agthoven T, van Agthoven TL, Dekker A, et al. Identification of BCAR3 by a random search for genes involved in antiestrogen resistance of human breast cancer cells. The EMBO journal. 1998; 17(10): 2799-2808.

Wang J, Cai Y, Ren C, et al. Expression of variant TMPRSS2/ERG fusion messenger RNAs is associated with aggressive prostate cancer. Cancer research. 2006; 66(17): 8347-8351.

Sharma N, Om H. Data mining models for predicting oral cancer survivability. Network Modeling Analysis in Health Informatics and Bioinformatics. 2013; 2(4): 285-295.

Chen JIANDONG, Marechal VINCENT, Levine AJ. Mapping of the p53 and mdm-2 interaction domains. Molecular and cellular biology. 1993; 13(7): 4107-4114.

Jensen DE, Proctor M, Marquis ST, et al. BAP1: a novel ubiquitin hydrolase which binds to the BRCA1 RING finger and enhances BRCA1-mediated cell growth suppression. Oncogene. 1998; 16(9): 1097.

Briknarová K, Nasertorabi F, Havert ML, et al. The serine-rich domain from Crk-associated substrate (p130cas) is a four-helix bundle. Journal of Biological Chemistry. 2005; 280(23): 21908-21914.

Wang S, Kollipara RK, Humphries CG, et al. The ubiquitin ligase TRIM25 targets ERG for degradation in prostate cancer. Oncotarget. 2016; 7(40): 64921.

Wang E, Lenferink A, O'Connor-McCourt M. Cancer systems biology: exploring cancer-associated genes on cellular networks. arXiv preprint arXiv:0712.3753. 2007.

Kaladhar DS, Sai PC, Rao PVN. Towards an understating of signal transduction protein interaction networks. Bioinformation. 2012; 8(9): 437.


Refbacks

  • There are currently no refbacks.