Recent Advances in the System Biology-based Target Identification and Drug Discovery

Abstract

The enormous quantity of publicly available active chemical ligand and biological receptor data knowledge allows scientists to retreat several open questions by the analysis and systematic integration of these complex unique data. Systems biology plays a crucial role through the constructive alignment of bio-physiochemical monitoring of gene, protein along with metabolites from the complex data. Further, it integrates information within the data and responses (metabolic and signaling pathway) which lead to the formulation of computational models for the elucidation of structure and function of the molecular determinant. The system biology methods utilize big complex high throughput data for the identification of the whole drug target and for the mechanism of action to lead compound characterization. Nowadays, the system biology is one of the most popular approaches to characterize proteinligand interaction on a large scale and is vital to address a complex mode of the drug action to clinical indications. The network of protein-ligand interactions also reveals the correlation between molecular functions of the cell with their physiological processes which help to design safe and effective ligands for drug development. Here, we review recent attempts to apply system biology-based approaches with large-scale network analyses to predict novel interactions of ligand and targets. We also deliver an essential step involved in the discovery and development of such multi-target drugs by identifying the group of proteins targeted by a particular ligand, leading to innovation in therapeutic research.

Keywords: Docking; Drug discovery; Ligand; Network; Protein-ligand interaction; System biology..