Biochemistry & Pharmacology: Open Access
Open Access
ISSN: 2167-0501
+44-20-4587-4809
ISSN: 2167-0501
+44-20-4587-4809
Prashant Singh
A.R.S.D. College,
New Delhi- 110021
India
Research Article
Rational Design of Threo as Well Erythro Noscapines, an Anticancer Drug: A Molecular Docking and Molecular Dynamic Approach
Author(s): Vijay Kumar Vishvakarma, Prashant Singh, Kamlesh Kumari and Ramesh ChandraVijay Kumar Vishvakarma, Prashant Singh, Kamlesh Kumari and Ramesh Chandra
Noscapine (narcotine) is an opium alkaloid, isolated from Papaver somniferum L. Noscapine is being used in clinical trials for curing cancer. Till date researchers mainly discussed the erythro form of noscapine but in the present work the authors have discussed the erythro as well as threo form of noscapine. In the present work, library of 11 derivatives of noscapine from each of threo- and erythro- isomer was created and virtually screened for their chemotherapeutic efficacy on Tyrosine Kinase Domain from Epidermal Growth Factor Receptor (PDB-1M14). The interaction between Tyrosine Kinase Domain of Epidermal Growth Factor Receptor and noscapines was studied by means of docking based on lowest binding energy and top pharma score and Molecular Dynamic (MD) simulation. It was found erythro form aminonoscapine (13) have higher binding affinity against the Tyrosine Kinase Domain .. View More»
DOI:
10.4172/2167-0501.1000229