A pharmacophore is an abstract description of molecular features which are necessary for molecular recognition of a ligand by a biological macromolecule. The IUPAC defines a pharmacophore to be "an ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target and to trigger (or block) its biological response".A pharmacophore model explains how structurally diverse ligands can bind to a common receptor site. Furthermore pharmacophore models can be used to identify through denovo design or virtual screening novel ligands that will bind to the same receptor. The process for developing a pharmacophore model generally involves many steps. What are the processes for pharmacophore model development?
Pharmacophore is a tool you can imagine what you can do with it .
For example , this one approch of it's use :(taining set based pharmacophore)
1- select ligands for your training set (certain criterions is needed)
2- align this ligands (there are different methods of alignment)
3- generate different models of pharmacophore (there are different options)
4- validate your model (as it is strong as strong your work)
5- use your model for your purpose (which the question you need to solve)
there are different uses of the model and there are different approaches rather than this approach . Read more and more you can find a lot and you can start your own approch .
Please let me know process for creation of pharmacophore based on ligands using 3D QSAR pharmacophore protocol ini Discovery Studio 2.0
@Vishal:
Use Ligandscout to create pharmacophore automatically with strong results. You can try Pharmacophore modelling in Discovery Studio too, so that open HELP option and then select Tutorial to know the processes. you can find videos in YouTube.
hello
someone help me to determine pharmacophore via movie or clip. and that is how software I will use?
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