In silico approach for the rational design of tankyrase i inhibitors–A case study on flavone based anticancer leads

Venkatesh Kamath, Aravinda Pai, Rohith Raj

Research output: Contribution to journalArticle

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.

Original languageEnglish
Pages (from-to)4511-4514
Number of pages4
JournalResearch Journal of Pharmacy and Technology
Volume11
Issue number10
DOIs
Publication statusPublished - 10-2018

All Science Journal Classification (ASJC) codes

  • Pharmacology, Toxicology and Pharmaceutics (miscellaneous)
  • Pharmacology (medical)

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