IN SILICO INTERACTION ANALYSIS OF SELECTED 5 TROPANE ALKALOIDS AGAINST ORAL CANCER DRUG TARGETS

Authors

  • Nadhirah Faiz Department of Pharmacology, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences , Saveetha University, Chennai, India Author
  • Lakshmi T Associate Professor, Department of Pharmacology, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences, Saveetha University Author
  • Dhanraj Ganapathy Professor&Head,Department of Prosthodontics, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences,Chennai, India Author

DOI:

https://doi.org/10.61841/6sj7xw49

Keywords:

docking, tropane, oral cancer, alkaloids, ajmalicine

Abstract

The aim is to study the interaction of Indole alkaloids against 2 oral carcinoma drug targets by in silico docking using iGemdock tool.In this generation, technology has become so advanced that we are able to now achieve what was believed 20 years ago to be impossible. One such advancement is in silico interactions. It is a virtual screening which enables us to bind two compounds and check the affinity of the binding. This helps us to first screen the activity of the two compounds before money, time and energy is spent in manually performing the activity and then arriving at a failure. We will be able to concentrate on the compounds which show us positive results in the in silico interactions, thus helping us in conserving time, expenditure and energy.Ajmalicine shows good interaction with both drug targets and possesses the best fitness energy of all 5 tropane alkaloids.

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References

[1] Ganesh R, John J, Saravanan S. Socio demographic profile of oral cancer patients residing in Tamil Nadu – A hospital based study. Indian Journal of Cancer 2013; 50:9.

[2] Parkin D.M., Maxwell Parkin D., Bray F., et al. Estimating the world cancer burden: Globocan 2000. International Journal of Cancer 2001; 94:153–156.

[3] Ahluwalia K.P. Assessing the oral cancer risk of South-Asian immigrants in New York City. Cancer 2005; 104:2959–2961.

[4] Shingleton W.W. Cancer control in developing countries. Journal of Surgical Oncology 1992; 49:76–77.

[5] Research Journal of Life Sciences, Bioinformatics, Pharmaceutical and Chemical Sciences. Epub ahead of print 2015. DOI: 10.26479/2015.0103.01.

[6] Christen P., Bieri S., Veuthey J-L. Analysis of Tropane Alkaloids in Biological Matrices. Modern Alkaloids; 339–367.

[7] Lounasmaa M. Chapter 1: The Tropane Alkaloids. The Alkaloids: Chemistry and Pharmacology 1988; 1–81.

[8] Clarke R.L. Chapter 2: The Tropane Alkaloids. The Alkaloids: Chemistry and Physiology 1977; 83–180.

[9] Fodor G. Chapter 5: The Tropane Alkaloids. The Alkaloids: Chemistry and Physiology 1960; 145–177.

[10] Fodor G. Chapter 8: The Tropane Alkaloids. The Alkaloids: Chemistry and Physiology 1971; 351–396.

[11] Robinson T. Tropane Alkaloids. The Biochemistry of Alkaloids 1968; 41–47.

[12] Plant Product Analogues and Compounds Derived from Them. Drug Discovery 2006; 115–150.

[13] Rose P.W., Beran B., Bi C., et al. The RCSB Protein Data Bank: redesigned web site and web services. Nucleic Acids Research 2011; 39:D392–D401.

[14] Deshpande N. The RCSB Protein Data Bank: a redesigned query system and relational database based on the mmCIF schema. Nucleic Acids Research 2004; 33:D233–D237.

[15] Noguchi T. PDB-REPRDB: a database of representative protein chains from the Protein Data Bank (PDB). Nucleic Acids Research 2001; 29:219–220.

[16] Bourne P.E. The distribution and query systems of the RCSB Protein Data Bank. Nucleic Acids Research 2004; 32:223D–225.

[17] Tusnady G.E. PDB_TM: selection and membrane localization of transmembrane proteins in the Protein Data Bank. Nucleic Acids Research 2004; 33:D275–D278.

[18] Yang J-M. An Evolutionary Approach for Molecular Docking. Genetic and Evolutionary Computation — GECCO 2003 2003; 2372–2383.

[19] Yang J-M., Chen C-C. GEMDOCK: A generic evolutionary method for molecular docking. Proteins: Structure, Function, and Bioinformatics 2004; 55:288–304.

[20] Stefaniu A. Introductory Chapter: Molecular Docking and Molecular Dynamics Techniques to Achieve Rational Drug Design. Molecular Docking and Molecular Dynamics. Epub ahead of print 2019. DOI: 10.5772/intechopen.84200.

[21] Vlachakis D. Introductory Chapter: Molecular Docking – Overview, Background, Application and What the Future Holds. Molecular Docking. Epub ahead of print 2018. DOI: 10.5772/intechopen.78266.

[22] Pintilie L., Stefaniu A. In Silico Drug Design and Molecular Docking Studies of Some Quinolone Compound. Molecular Docking and Molecular Dynamics. Epub ahead of print 2019. DOI: 10.5772/intechopen.85970.

[23] Vlachakis D. Molecular Docking. BoD – Books on Demand, 2018.

[24] Bitencourt-Ferreira G., de Azevedo W.F. Docking with GemDock. Methods in Molecular Biology 2019; 169–188.

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Published

13.12.2019

How to Cite

Faiz, N., T, L., & Ganapathy, D. (2019). IN SILICO INTERACTION ANALYSIS OF SELECTED 5 TROPANE ALKALOIDS AGAINST ORAL CANCER DRUG TARGETS . International Journal of Psychosocial Rehabilitation, 23(6), 1236-1240. https://doi.org/10.61841/6sj7xw49