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Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha
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 o...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Biomedical Informatics
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5267952/ https://www.ncbi.nlm.nih.gov/pubmed/28149043 http://dx.doi.org/10.6026/97320630012105 |
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author | Bandopadhyay, Pathikrit Halder, Soma Sarkar, Mrinmoy Kumar Bhunia, Sujay Dey, Sananda Gomes, Antony Giri, Biplab |
author_facet | Bandopadhyay, Pathikrit Halder, Soma Sarkar, Mrinmoy Kumar Bhunia, Sujay Dey, Sananda Gomes, Antony Giri, Biplab |
author_sort | Bandopadhyay, Pathikrit |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-5267952 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | Biomedical Informatics |
record_format | MEDLINE/PubMed |
spelling | pubmed-52679522017-02-01 Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha Bandopadhyay, Pathikrit Halder, Soma Sarkar, Mrinmoy Kumar Bhunia, Sujay Dey, Sananda Gomes, Antony Giri, Biplab Bioinformation Hypothesis 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. Biomedical Informatics 2016-06-15 /pmc/articles/PMC5267952/ /pubmed/28149043 http://dx.doi.org/10.6026/97320630012105 Text en © 2016 Biomedical Informatics 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. |
spellingShingle | Hypothesis Bandopadhyay, Pathikrit Halder, Soma Sarkar, Mrinmoy Kumar Bhunia, Sujay Dey, Sananda Gomes, Antony Giri, Biplab Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha |
title | Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha |
title_full | Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha |
title_fullStr | Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha |
title_full_unstemmed | Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha |
title_short | Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha |
title_sort | molecular modeling of nk-ct1, from indian monocellate cobra (naja kaouthia) and its docking interaction with human dna topoisomerase ii alpha |
topic | Hypothesis |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5267952/ https://www.ncbi.nlm.nih.gov/pubmed/28149043 http://dx.doi.org/10.6026/97320630012105 |
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