Improvements in drug design have historically been centered around structure-based
optimization of molecule specificity for a targeted protein, in an effort to reduce unintentional …

Ligand-and structure-based drug design approaches complement phenotypic and target
screens, respectively, and are the two major frameworks for guiding early-stage drug …

Many successful drugs bind to and modulate multiple targets in vivo. Successfully navigating
protein–ligand polypharmacology will be a crucial and increasingly utilized component of …

The cellular network and its environment govern cell and organism behavior and are
fundamental to the comprehension of function, misfunction and drug discovery. Over the last …

The goal of drug discovery is to develop novel smallmolecule compounds that ameliorate,
cure, and (optimally) prevent clinically significant diseases. It has been much asserted that …

Abstract Systems biology is essentially a proteomic and epigenetic exercise because the
relatively condensed information of genomes unfolds on the level of proteins. The flexibility …

The complexity and flexibility of cellular architectures is increasingly recognized by
impressive progress on the side of molecular analytics, ie proteomics, genomics and …

The designing of drugs that can simultaneously affect different protein targets is one novel
and promising way to treat complex diseases. Multitarget drugs act on multiple protein …

We examine how physiology and pathophysiology are studied from a systems perspective,
using high‐throughput experiments and computational analysis of regulatory networks. We …

Drug discovery is the process through which potential new therapeutic entities are identified,
using a combination of computational, experimental, translational, and clinical models (see …