Every new analog needs to be tested in order to determine its new pharmacological properties (pharmacokinetics and pharmacodynamics). Molecular modifications that increase lipophilicityĪs in the case of molecular shape, the introduction of additional functional groups and substituents (chemical modifications) may alter the biological effect of the drug. Molecular modifications that increase hydrophilicity The various molecules we have considered are summarized in Table 12.4 on. However, there are certain tendencies that are summarized in table 1. OBJECTIVE: To learn to predict molecular geometry from the number of electron pairs. We must consider that polarity (and therefore solubility in polar and non-polar media) is a synergistic effect, and it is the combined effect of functional groups and molecular geometry that will determine the polarity of a drug candidate. Increased lipophilicity of a dopamine analog by methylation of phenol groups. Most of the time, the drug must be hydrophilic enough to be able transported in the blood, but also lipophilic enough to travel through a membrane.įigure 2. The F atoms form an octahedron about the central S atom: four of the F atoms form a square with the S atom at the center, and the other two F atoms are above and below the S atom. We differentiate between these two situations by naming the geometry that includes all electron pairs the. The observed geometry of SF 6, as shown in Figure 7.2, is highly symmetric: all bond lengths are identical and all bond angles are 90o. The molecular structure of the methane molecule, CH4 CH 4, is shown with a tetrahedral arrangement of the hydrogen atoms. The relative solubility of a drug in both aqueous and non-polar media plays a major role in the ability of the body to absorbe and transport the active molecule to its action site. Molecular structure describes the location of the atoms, not the electrons.
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