中國的

Product Info

A high-performance program for ligand-based drug design

An example pharmacophore model of an angiotensin AT1 antagonist is illustrated. Green spheres map to hydrophobic sites, and ring features map to aromatic groups. The hydrogen bond donor site is represented by a blue sphere and vector arrow to define directionality. The molecule is enclosed by yellow excluded volume spheres to mimic steric hindrance caused by the receptor cavity.

Phase: A high-performance program for ligand-based drug design

Phase is a complete package of pharmacophore modeling tools that offers scientists an unparalleled level of control at each step. Fast, accurate, and highly configurable, Phase is a powerful tool for hit generation and lead hopping.

The Advantages of Pharmacophore Modeling

As researchers continue to search for new targets of therapeutic interest, transmembrane and G-protein coupled receptors are of ever-increasing importance. However, crystal structures for these targets may be impossible to resolve, posing great challenges in rational drug design. Structure-based virtual screening is not an option when the active site geometry is unknown, but assaying an entire library for hits is an inefficient and expensive proposition.

Pharmacophore modeling solves this problem by determining the spatial arrangement of chemical features that confer drug activity toward a target receptor. Having established the chemical space occupied by active ligands, pharmacophore modeling software allows researchers to create 3D structure-activity relationships, screen databases, and generate hits without the benefit of a receptor structure.

  • Download Software

    Download the Schrödinger Suite now to try out the software.

    GO
  • Explore the Knowledge Base

    Find more information by searching our Knowledge Base.

    GO
  • Get Support

    Contact our Scientific and Technical Support team.

    GO
  • Product List

    View a complete list of all products.

    GO