Multi-target drugs against particular multiple targets get better protection, resistance profiles
and curative influence by cooperative rules of a key beneficial target with resistance …

Introduction: Quantitative structure–activity relationship (QSAR) modeling is one of the most
popular computer-aided tools employed in medicinal chemistry for drug discovery and lead …

Drug design is a process driven by innovation and technological breakthroughs involving a
combination of advanced experimental and computational methods. A broad variety of …

The computer-aided drug design uses computational approaches for analysis of target,
screening, and interaction of ligands, simulation of target–ligand complex, optimization of …

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 …

Drug development is one of the most significant processes in the pharmaceutical industry.
Various computational methods have dramatically reduced the time and cost of drug …

To date, computational approaches have been recognized as a key component in drug
design and discovery workflows. Developed to help researchers save time and reduce …

Quantitative structure–activity relationships (QSAR) is an area of computational research
that builds virtual models to predict quantities such as the binding affinity or the toxic …

In the absence of three-dimensional (3D) structures of potential drug targets, ligand-based
drug design is one of the popular approaches for drug discovery and lead optimization. 3D …

The process for drug discovery and development is challenging, time consuming and
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …