Structure Based Drug Design - A Practical Approach. SBDD of Hybrid 4-Aminoquioline-Triazine Derivatives as PfDHFR-TS inhibitors and Synthesis of selected compounds

      Аннотация: This book contains a short introduction to the modern drug development process with a brief write up about different forcefields, ligand optimization and docking protocols. This book depicts in detail about Insilco structure based drug design of hybrid 4-aminoquinoline- triazine derivatives with CDOCKER of Discovery Studio (version 2.5), synthetic procedures of the top scored compounds, their FTIR data. This book can serve as guide to post graduate students and researcher scholars.

Ключевые слова: Molecular Modeling, Binding energy, Drug Interaction, PfDHFR-TS, chloroquine, forcefield, CHARMm etc.