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Journal :   Research Journal of Pharmacy and Technology

Volume No. :   11

Issue No. :  10

Year :  2018

Pages :   4511-4514

ISSN Print :  0974-3618

ISSN Online :  0974-360X


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In Silico approach for the Rational Design of Tankyrase I Inhibitors–A Case Study on Flavone based Anticancer Leads



Address:   Venkatesh Kamath1, Aravinda Pai2*, Rohith Raj3
1Department of Pharmaceutical Biotechnology, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, India
2Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, India
3Scientist I, Department of Bio Analytical, Ecron Acunova, Manipal, Karnataka, India
*Corresponding Author E-mail:
DOI No: 10.5958/0974-360X.2018.00825.9

ABSTRACT:
In the present study, a series flavones were selected form the literature. The selected compounds were docked at the active site of Tankyrase I utilizing extra precision docking protocol. The docking scores of the selected compounds were then compared with a standard reported in the literature. The compounds showed comparable binding affinity at the active site of Tankyrase I. The study also enabled us in identifying the possible substitution sites to enhance the activity as well as selectivity towards the enzyme Tankyrase I. This could help the researchers in identifying lead molecule for colorectal cancer.
KEYWORDS:
Tankyrase I, docking, ADP ribose, PARP, Colon cancer.
Cite:
Venkatesh Kamath, Aravinda Pai, Rohith Raj. In Silico approach for the Rational Design of Tankyrase I Inhibitors–A Case Study on Flavone based Anticancer Leads. Research J. Pharm. and Tech 2018; 11(10): 4511-4514.
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