Title

Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha

Authors

Pathikrit Bandopadhyay1, 2, Soma Halder1, Mrinmoy Sarkar1, Sujay Kumar Bhunia1, Sananda Dey1, Antony Gomes3, Biplab Giri1*

Affiliation

1Experimental Medicine and Stem Cell Research Laboratory, Department of Physiology, West Bengal State University, Barasat, Kolkata 700 126, West bengal, India; 2University of Kalyani, Kalyani 741 235, West Bengal, India; 3Department of Physiology, University of Calcutta, 92 APC Road, Kolkata 700 009, India

Email

Biplab Giri – E mail: bgiri.emscrl@gmail.com; Phone: +91-9432904884; *Corresponding author

Article Type

Hypothesis

Date

Received February 07, 2016; Accepted April 7, 2016; Revised April 17, 2016; Published June 15, 2016

A 6.76 kDa molecular weight cardio and cytotoxic protein of 60 amino acids in length called NK-CT1, was purified from the venom of Indian monocellate cobra (Naja kaouthia) by ion-exchange chromatography and HPLC as described in our earlier report. Therefore it is of interest to utlize the sequence of NK-CT1 for further functional inference using molecular modeling and docking.
Thus homology model of NK-CT1 is described in this report. The anti-proliferative activity of the protein, binding with human DNA topoisomerase-II alpha was demonstrated using docking data with AUTODOCK and AUTODOCK MGL tools. Data shows that M26, V27 and S28 of NK-CT1 is in close contact with the nucleotides of the oligonucleotide, bound with topoisomerase-II alpha
complex.

Keywords

NK-CT1, Naja kaouthia, human DNA topoisomerase II alpha, docking

Citation

Bandopadhyay et al. Bioinformation 12(3): 105-111 (2016)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.