Xenobiotic chemotherapeuticals

XENOBIOTIC CHEMOTHERAPEUTICALS

dual action drug : a compound which combines two desired different pharmacological actions at a similarly efficacious dose
distomer : the enantiomer of a chiral compound that is the less potent for a particular action. This definition does not excude the possibility of other effect or side effect of the distomer
eutomer : the enantiomer of a chiral compound that is the more potent for a particular action
eudismic ratio : the potency of the eutomer relative to that of the distomer
Pfeiffer's rule : in a series of chiral compounds the eudismic ratio increases with increasing potency of the eutomer
bioisostere : a compound resulting from the exchange of an atom or of a group of atoms with another, broadly similar, atom or group of atoms. The objective of a bioisosteric replacement is to create a new compound with similar biological properties to the parent compound. The bioisosteric replacement may be physicochemically or topologically based
isosteres : molecules or ions of similar size containing the same number of atoms and valence electrons, e.g., O^2-, F^-, Ne
homologue : a compound belonging to a series of compounds differing from each other by a repeating unit, such as a methylene group, a peptide residue, etc.
analog : a drug whose structure is related to that of another drug but whose chemical and biological properties may be quite different

antimetabolite : a structural analog of an intermediate (substrate or coenzyme) in a physiologically occurring metabolic pathway that acts by replacing the natural substrate thus blocking or diverting the biosynthesis of physiologically important substances

Topliss tree : an operational scheme for analog design
congener : a substance literally con- (with) generated or synthesized by essentially the same synthetic chemical reactions and the same procedures. Congeners may be analogs or vice versa but not necessarily. The term congener, while most often a synonym for homologue, has become somewhat more diffuse in meaning so that the terms congener and analog are frequently used interchangeably in the literature.
"me-too" drugs : compounds that are structurally very similar to already known drugs, with only minor pharmacological differences, which usually have less scientific documentation than the original drugs
new chemical entity (NCE) : a newly identified molecule with a novel structure, not previously described in the literature.
sugar-based compounds

typically bind to their targets with numerous weak handholds, requiring higher doses
are poor at crossing cell membranes
are expensive to make : unlike the amino acids in proteins and the nucleotides in nucleic acids that link up like boxcars in a train, sugar chains can branch and twist, giving them a multitude of 3D shapes

glycomimetics : noncarbohydrate compounds that mimic the properties of saccharides
carbohybrids : molecules containing a sugar portion linked to other organic groups that are simple to make and typically bind more tightly to protein drug targets. They have greater specifity than glycomimetics and greater affinity than sugar-based compounds (anyway still about 10-fold higher than the sweet spot for most pharmaceuticals).
peptidomimetic : a compound containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide. A peptidomimetic does no longer have classical peptide characteristics such as enzymatically scissille peptidic bonds.

peptoid is a peptidomimetic that results from the oligomeric assembly of N-substituted glycines

Hansch analysis : the investigation of the quantitative relationship between the biological activity of a series of compounds and their physicochemical substituent or global parameters representing hydrophobic, electronic, steric and other effects using multiple regression correlation methodology

quantitative structure-activity relationships (QSAR) : mathematical relationships linking chemical structure and pharmacological activity in a quantitative manner for a series of compounds. Methods which can be used in QSAR include

comparative molecular field analysis (CoMFA) : a 3D-QSAR method that uses statistical correlation techniques for the analysis of the quantitative relationship between the biological activity of a set of compounds with a specified alignment, and their three-dimensional electronic and steric properties. Other properties such as hydrophobicity and hydrogen bonding can also be incorporated into the analysis

pattern recognition : the identification of patterns in large data sets using appropriate mathematical methodologies

Pharmacogenomics / pharmacogenetics : chemotherapeutical exploitation of the genome

gene-based drug therapy : devising diffusible drugs after elucidating the pathogenesis
genome based drug therapy : individual differences in reactivity to drugs in terms of efficacy or tolerance

Hardman, Limbird, Gilman : Goodman & Gilman's - The pharmacological basis of therapeutics, 10^th edition 2001. McGraw-Hill.

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