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The phrase "drug design" is similar to ligand design (i.e., design of a molecule that will bind tightly to its target). [6] Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, and side effects, that first must be optimized before a ligand can become a safe and effictive drug.
The goal of a targeted drug delivery system is to prolong, localize, target and have a protected drug interaction with the diseased tissue. The conventional drug delivery system is the absorption of the drug across a biological membrane , whereas the targeted release system releases the drug in a dosage form.
A box model explaining the processes of toxicokinetics and toxicodynamics. While toxicokinetics describes the changes in the concentrations of a toxicant over time due to the uptake, biotransformation, distribution and elimination of toxicants, toxicodynamics involves the interactions of a toxicant with a biological target and the functional or structural alterations in a cell that can ...
Most commonly one of the molecules is a small organic compound such as a drug and the second is the drug's biological target such as a protein receptor. [1] Scoring functions have also been developed to predict the strength of intermolecular interactions between two proteins [ 2 ] or between protein and DNA .
The term "biological target" is frequently used in pharmaceutical research to describe the native protein in the body whose activity is modified by a drug resulting in a specific effect, which may be a desirable therapeutic effect or an unwanted adverse effect. In this context, the biological target is often referred to as a drug target.
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". [1] A pharmacophore model explains how structurally diverse ligands can bind to a common receptor site.
This allows modification of the effect or the potency of a bioactive compound (typically a drug) by changing its chemical structure. Medicinal chemists use the techniques of chemical synthesis to insert new chemical groups into the biomedical compound and test the modifications for their biological effects.
Drug molecules often interact with multiple targets and the unintended drug-target interactions can cause side effects. Polypharmacology remains to be one of the major challenges in drug development, and it opens novel avenues to rationally design the next generation of more effective but less toxic therapeutic agents. [2]