What is an example of pharmacophore?
An example of a pharmacophore model of the benzodiazepine binding site on the GABAA receptor. White sticks represent the carbon atoms of the benzodiazepine diazepam, while green represents carbon atoms of the nonbenzodiazepine CGS-9896.
How would you describe a pharmacophore?
Pharmacophore is defined as “an ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biologic target and to trigger (or block) its biologic response.”
What is the pharmacophore of a drug?
The term pharmacophore has been used in medicinal chemistry for many years. “A pharmacophore is the ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target structure and to trigger (or to block) its biological response.”
What is meant by de novo drug design?
De novo drug design is an iterative process in which the three-dimensional structure of the receptor is used to design newer molecules. It involves structure determination of the lead target complexes and the design of lead modifications using molecular modeling tools.
Where can I find pharmacophore?
The pharmacophore can be relatively easily identified if the 3D structure structure is available for several ligands bound to the same binding site of the same protein by aligning the features of all the ligands and finding their largest common arrangement, referred to as the common pharmacophore (CP).
What do you mean by pharmacophore Modelling?
A pharmacophore model is the ensemble of common steric and electronic features that are necessary to ensure the optimal molecular interactions with a specific biological target and to trigger (or block) its biological response.
What is Pharmacophoric group?
Definition: A Pharmacophore is an ensemble of steric, electrostatic and hydrophobic properties which is essential for optimal supramolecular interactions with a biolocial receptor, to modulate or inhibit a biological effect. The Pharmacophore anchors the agent with the receptor.
How do you make a pharmacophore?
Press ctrl-f9 to create a pharmacophore (cmd-f9 on OS X).
What is molecular Modelling & drug design?
Molecular modeling is an established computational toolbox to assist early drug discovery and development. It can be used to generate ideas on a compounds or macromolecules 3D conformation, protein–ligand interactions, and to make predictions on biological activities.
What is meant by docking Mcq?
What is meant by docking? a) The process by which two different structures are compared by molecular modelling. b) The process by which a lead compound is simplified by removing excess functional groups.
What is pharmacophore modeling?
According to the very recent definition by IUPAC [2], a pharmacophore model is ‘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’.