Pharmacophore Modeling in Drug Discovery: Methodology and Current Status

A pharmacophore describes the framework of molecular features that are vital for biological activity a compound. Pharmacophore models built by using structural information about active ligands or targets. The developed used to identify novel compounds satisfy requirements and thus expected be biologically active. Drug discovery process is challenging task requires contribution multidisciplinary approaches. modeling has been in various stages drug process. major application areas virtual screening, docking, target fishing, ligand profiling, ADMET prediction. There several programs use. user must select right program purpose carefully. new developments with involvement other computational methods. It integrated dynamics simulations. latest approaches like machine learning have also played an important role advances achieved. Moreover, rapid advance computing capacity, data storage, software algorithms, more anticipated. contributed faster, cheaper, effective With integration methods better perfomance emerging. Thus, improvements quality generated achieved these developments.