Journal of Computer Science & Systems Biology

Shanthi V

Publications

• Research Article
  Role of the Cation-π Interaction in Therapeutic Proteins: A Comparative Study with Conventional Stabilizing Forces
  Author(s): Shanthi V, Ramanathan K and Rao SethumadhavanShanthi V, Ramanathan K and Rao Sethumadhavan
  
  The cation-p interaction is an important, general force for molecular recognition in biological receptors. In this study, we have analyzed the energy contribution resulting from cation-p interactions in the set of therapeutic proteins. The contribution of cation-p interacting residues in secondary structure involvement, solvent accessibility, stabilization centers, stabilizing residues and conservation score has been evaluated. Secondary structure of the cation-p involving residues shows that, Arg and Lys prefers to be in strand. Among the p residues, Phe prefer to be in coil, Tyr prefers to be in strand and Trp prefer to be in helix. Among the cation-p interacting residues Arg and Lys were in the exposed regions. Phe and Tyr were in the partially buried region and Trp in the fully buried region. Stabilization centers for these proteins showed that all the.. Read More»
  DOI: 10.4172/jcsb.1000017

  Abstract PDF