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3d Qsar Software
3d Qsar Software




Systemic means relating to or affecting the whole body.Ī teratogen is a substance that produces a malformation in a foetus. Structure-property correlations refers to all statistical mathematical methods used to correlate any structural property to any other property (intrinsic, chemical or biological), using statistical regression and pattern recognition techniques. Structure-based design is a drug design strategy based on the 3D structure of the target obtained by X-ray or NMR. Structure-activity relationship is the relationship between chemical structure and pharmacological activity for a series of compounds. Site-specific delivery is an approach to target a drug to a specific tissue, using prodrugs or antibody recognition systems.Ī soft drug is a compound that is is degraded in vivo to predictable non-toxic and inactive metabolites, after having achieved its therapeutic role. This generic term usually does not prejudge the rank order of intracellular biochemical events. Generally the active site cavity is defined by comparing the superposition of active to that of inactive molecules.Ī second messenger is an intracellular metabolite or ion increasing or decreasing as a response to the stimulation of receptors by agonists, considered as the "first messenger". Receptor mapping is the technique used to describe the geometric and/or electronic features of a binding site when insufficient structural data for this receptor or enzyme are available. A receptor is a molecule or a polymeric structure in or on a cell that specifically recognizes and binds a compound acting as a molecular messenger (neurotransmitter, hormone, lymphokine, lectin, drug, etc.).






3d Qsar Software