What is a pharmacophore in drug design?
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.” From: Pharmacology and Physiology for Anesthesia (Second Edition), 2019.
What is bioisostere importance in drug design?
Introduction: A bioisostere is a powerful concept for medicinal chemistry. It allows the improvement of the stability; oral absorption; membrane permeability; and absorption, distribution, metabolism and excretion (ADME) of drug candidate, while retaining their biological properties.
What is scaffold in drug design?
Scaffold: A term describing the core structure of a compound or series. Substitution site: Position (site) of chemical variation in a core structure carrying different substituents (functional groups, R-groups) in different analogs.
What is the difference between Isosteres and bioisosteres?
Classical Isosteres are molecules or ions with similar shape and often electronic properties. Many definitions are available. but the term is usually employed in the context of bioactivity and drug development. Such biologically-active compounds containing an isostere is called a bioisostere.
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.
What is the purpose of pharmacophore?
A pharmacophore is the 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.
What is bio Isosterism?
Bioisosterism. Bioisosteres – substituents or groups with chemical or physical similarities that produce similar biological properties.
What is Tetrazole used for?
Tetrazoles as antihypertensive agents Some tetrazole-containing drugs such as losartan, valsartan, irbesartan and candesartan have already been used for the treatment of hypertension in clinical practice, demonstrating the potential of tetrazole derivatives as putative antihypertensive drugs [17].
What is scaffold analysis?
Scaffold Hunter is a flexible visual analytics framework for the analysis of chemical compound data and combines techniques from several fields such as data mining and information visualization.
What is meant by a privileged scaffold?
Abstract. Introduction: The term “privileged scaffold” was coined in 1988 and the strategy was to construct high-affinity ligands from core structures that can bind more than one receptor.
What is Isosterism in medicinal chemistry?
Definition of Isosterism. Langmuir (1919): Compounds or groups of atoms having the. same number of atoms and electrons.
Why is pharmacophore important?
Pharmacophore is the essential to understand the interaction between the receptor and ligand. It is important feature to design new drug for treatment of the intended disease. Pharmacophore defined as the essential geometric arrangement of atoms or functional groups necessary to produce a given biological response.