Solutions for small molecule drug discovery

Key features

  • Ideal for protein structure based design and optimization of hit compounds
  • Has a slick, sophisticated user interface
  • Structure generation can be run remotely on a cluster of nodes
  • Ability to use your own library of fragments
  • Helps you to select your structures based on various criteria

SPROUT options


SPROUT is a sophisticated de novo design tool for designing new hit compounds by building skeletons from fragments within the active site of your target.

SPROUT is an excellent synergy with fragment-based hit discovery by allowing you to build structures with your own imported fragments.

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SPROUT-HitOpt is designed for optimizing hit compounds within the target’s active site.
SPROUT-HitOpt offers two ways of hit optimization:

  • extension of a core structure with monomers from your own monomer library
  • replacing monomers with similar ones taken from your own monomer library

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SynSPROUT is aimed to generate synthetically accessible ligands by de novo design.

Skeletons are generated from fragments by joining them together via virtual synthetic reactions.

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You need a high-performing, reliable and easy-to-use software solution to speed up your next big scientific breakthrough. Getting the right solution is integral to advance your research and workflow.