Journal of Computer Science & Systems Biology

Sunil H Ganatra

Publications

• Research Article
  Inhibition Studies of Naturally Occurring Terpene based Compounds with Cyclin-Dependent Kinase 2 Enzyme
  Author(s): Sunil H Ganatra and Amita S SuchakSunil H Ganatra and Amita S Suchak
  
  The knowledge of the molecular basis of carcinogenesis has helped to discover new, less toxic chemotherapy agents. At present, considerable attention has been focused on identifying the molecular level interactions of naturally occurring Terpene based substances, capable of inhibiting target enzymes. CDKs enzymes are known as cell regulators in eukaryotic cell cycle. In finding new anti-cancer agents, CDKs are used as target enzymes, particular among them are CDK2 enzymes. Computer based Chem-office and Autodock molecular modeling tools used to understand the ways with which Terpene based natural products interacts with Cyclin-dependent kinase 2 (CDK2). Using in-silico techniques, the binding energy between ligands and receptor enzyme are calculated in the form of ΔG in Kcal.mol-1. The reported binding energies for series of molecules are ranging from -7.96 to -16.62 Kcal.mol-1... Read More»
  DOI: 10.4172/jcsb.1000092

  Abstract PDF