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Non-Oral Extravascular Drug Absorption Routes01:15

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Non-oral extravascular routes, which encompass sublingual, buccal, topical, intramuscular, and inhalation methods, primarily utilize passive diffusion to transport drugs into the systemic circulation. The absorption rates and effectiveness of these routes depend on the drug's physicochemical properties, as well as the patient's anatomical and pathophysiological state.
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Drug absorption involves the movement of drugs from the point of administration into the systemic circulation. Initially, Gastrointestinal (GI) motility propels the drug through the digestive tract and into the stomach. However, the stomach's high acidity and limited surface area restrict its role in drug absorption for most drugs. The drug then moves from the stomach to the small intestine via gastric emptying, which can be slowed by various factors, including interactions with other...
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The physicochemical characteristics of drugs play a crucial role in formulating stable and bioavailable drug products. The solubility of a drug, governed by the varying pH along the GI tract and its dissociation constant (pKa), is pivotal in determining its ionization state and absorption rate. Notably, weak acids and bases remain unionized and are absorbed more rapidly.
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Solid dosage forms such as tablets and capsules undergo rigorous manufacturing processes to ensure stability and effectiveness. Their dissolution and absorption properties are influenced significantly by the choice of excipients (inactive ingredients that serve various roles in the formulation), and the methodology applied during production. The manufacturing parameters, such as compression force and granulation techniques, significantly affect dissolution rates. Elevated compression forces...
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Designing safer oral drugs.

MedChemComm·2018
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Oral drug suitability parameters.

M C Wenlock1

  • 1InSilicoLynx Ltd , BioHub at Alderley Park , Mereside, Alderley Park , Cheshire , SK10 4TG , UK .

Medchemcomm
|August 16, 2018
PubMed
Summary

This study introduces a simplified mathematical model to assess oral drug suitability early in drug discovery. It uses two new parameters to quantitatively link oral dose to in vivo exposure, simplifying compound evaluation.

Area of Science:

  • Pharmacokinetics and Drug Metabolism
  • Computational Chemistry
  • Drug Discovery and Development

Background:

  • Early assessment of oral drug suitability is crucial in drug discovery to minimize late-stage failures.
  • Current methods for evaluating oral drug suitability can be complex and time-consuming.

Purpose of the Study:

  • To develop a simplified methodology for assessing oral drug suitability using in vivo quantity levels.
  • To introduce two novel parameters that quantitatively relate oral dose to in vivo exposure.
  • To facilitate early-stage virtual evaluation of drug candidates.

Main Methods:

  • Development of a mathematical model for in vivo drug levels, incorporating time-limited oral absorption and non-instantaneous distribution.
  • Derivation of two new parameters representing oral drug suitability.

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  • Application of the methodology for virtual compound design, considering uncertainties and prediction errors.

    • Main Results:

    • The proposed methodology simplifies the complex evaluation of oral drug suitability.
    • Two new quantitative parameters are introduced to relate oral dose to in vivo exposure.
    • The approach allows for the assessment of compounds with diverse absorption and elimination characteristics.

    Conclusions:

    • The novel methodology offers a simplified and quantitative approach to assess oral drug suitability.
    • This method can be effectively applied during the virtual design stage of drug discovery.
    • The approach accounts for uncertainties in distribution kinetics and in silico prediction errors, enhancing its practical utility.