Fundamentals of Medicinal Chemistry

To pass through a membrane (see Appendices 3 and 5) a drug must usually exhibit a reasonable degree of both water and lipid solu ...

H 2 N SO 2 NH S N CH 3 CH 2 OH OH COOH COOH S N N CH 3 Pyrantel embonate (Embonate) Sulphamethoxazole (antibacterial) The sulpho ...

bond with water, and the use of special dosage forms, a discussion of the latter being beyond the scope of this text. In salt fo ...

Table 3.1 Examples of the acids and bases used to form the salts of drugs Anions and anion sources Cations and cation sources Et ...

1. the type of group introduced; 2. whether the introduction is reversible or irreversible; 3. the position of incorporation and ...

compound by less reactive C–C, C–O and C–N bonds are likely to be irrevers- ibly attached to the lead structure. Groups that are ...

COCl H 2 NCH 2 CH 2 N(C 2 H 5 ) 2 O 2 N O 2 N CONHCH 2 CH 2 N(C 2 H 5 ) H 2 N CONHCH 2 CH 2 N(C 2 H 5 ) 2 H 2 / Raney Ni OH C1CH ...

O O N N NH O N O CH 3 CH 3 CH 3 O N N N N CH 2 CH 2 OH O OCH 2 Ph O Cl OCH 2 Ph P ROH ROH ROH O OCH 2 Ph OCH 2 Ph P RO O OH OH P ...

3.7 Questions (1) Outline the general steps in the discovery of a new drug. (2) Outline by means of suitable examples the signif ...

4 The SAR and QSAR Approaches to Drug Design 4.1 Structure–activity relationships (SARs) Compounds with similar structures to a ...

2 3 4 5 6 2000 0 1000 x x x x n = 2, IC 50 = 19,000 246810 50 40 30 20 10 x x x x x 0 x−xx−x−x Increasing values of n Antibacter ...

4.2 Changing size and shape The shapes and sizes of molecules can be modified in a variety of ways, such as changing the number ...

Table 4.1 Examples of the ways in which the size and shape of the carbon skeletons of lead compounds may be changed to produce n ...

Table 4.2 Examples of some of the groups commonly used as new substituents in the production of analogues Group Effect on lipoph ...

Diphenhydramine O N O N C H HH .. .. Steric hindrance between the hydrogen atom and the lone pairs. o-Methyl analogue Figure 4.2 ...

Table 4.3 Examples of isosteres. Each horizontal row represents a group of structures that are isosteric. Classical isosteres we ...

4.4 Quantitative structure–activity relationships (QSARs) QSAR is an attempt to remove the element of luck from drug design by e ...

QSAR derived equations take the general form: biological activity¼ function{parameter(s)} (4:1) in which the activity is normall ...

The nature of the relationship betweenPand drug activity depends on the range of Pvalues obtained for the compounds used. If thi ...

wherePRHandPRXare the partition coefficients of the standard compound and its monosubstituted derivative respectively. However, ...