Open Source Tools for Pharmacophore Generation

PharmaGist [59, 60] is a freely available web server for detecting pharmacophore from a group of ligands known to bind to a particular target. The output is given as a list of pharmacophores (Fig. 4.94). 

Pharmacophore generation from known ligands using PharmaGist (Figs. 4.95 and 4.96)  

Click on Jmol to obtain the Pharmacophore models which can be saved as. pdb (Fig. 4.97). 

The downloaded file can be opened in WordPad. It displays the XYZ coordinates of the pharmacophore groups (Fig. 4.98). 

Open ZINCPharmer (http //zincpharmer.csb.pitt.edu/) where the XYZ coordinates of Pharmacophore groups can be used to screen ZINCDatabase. ZINCPharmer is the free and open source pharmacophore search software which can identify 

---