Medicinal Chemistry
that followed the human genome project produced a flood of 50,000–75,000 sequences as potential targets for future drug design. ...
characterization of the complexities of cellular protein–protein interactions will afford a robust understanding of the integrat ...
“everyone” with a given disease; pharmacogenomics will enable the tailor-made design of chemotherapies for specific populations ...
Additions to carbon–carbon multiple bonds Additions to carbon–heteroatom multiple bonds Elimination reactions Rearrangements Ox ...
3.3.2 Need for Efficient Synthetic Methods Typically, medicinal chemists work in either academic or industrial research laborato ...
This is particularly true if one is pursuing lead compound discovery by high throughput screening of millions of compounds. More ...
about the binding process; they do not tell if the drug is an agonist or antagonist. Functional in vitroassays with a measurable ...
activity, then this decision may be relatively straightforward. Nevertheless, the optimization of a lead compound is a lengthy a ...
Until the early 1960s, lead compound optimization was an intuitive endeavor based on long experience, keen observation, serendip ...
This two-step strategy enables the drug to be optimized first for its ability to bind to a receptor site and then for its abilit ...
3.4.1.2 Introduction of Double Bonds The introduction of double bonds changes the stereochemistry of a molecule and decreases th ...
some of the bewildering variations of rings in the older H 1 antihistamines reveals them to be simply variations on the ethylene ...
a phenylpiperidine that has many congeneric analogs. Fentanyl (3.15) is designed along similar lines and has some tremendously a ...
DESIGNING DRUG MOLECULES TO FIT RECEPTORS 139 exception of lipophilicity, which increases with the addition of “inert” hydrocarb ...
3.4.1.7 Correlating Analog Structure with Bioactivity The approach involving the design of analogs of an active lead compound ha ...
drug molecule’s solubility. It reflects the ability of the drug to partition itself into the lipid surroundings of the receptor ...
is very useful, saving much time and effort in the synthesis and testing of new drugs. Hundreds of examples of such analyses are ...
Topliss Decision Tree Method.This method is quicker and easier to use than the Hansch method. The Topliss schemeis an empirical ...
These various descriptors may be calculated using various molecular mechanics and quantum mechanics approaches, as discussed in ...
3.4.2.3 3D-QSAR — Comparative Molecular Field Analysis Like other forms of QSAR, 3D-QSAR starts with a series of compounds with ...
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