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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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Heterosynthons, Solid Form Design and Enhanced Drug Bioavailability.

Ashwini K Nangia1, Gautam R Desiraju2

  • 1School of Chemistry, University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Central University P.O., Hyderabad, 500 046, India.

Angewandte Chemie (International Ed. in English)
|August 19, 2022
PubMed
Summary
This summary is machine-generated.

Researchers propose using heterosynthons, analogous to molecular pharmacophores, for designing high bioavailability drugs. This approach offers a potentially more efficient and economical pathway to discovering novel therapeutics.

Keywords:
cocrystalscrystal engineeringdrug discoverypharmaceutical developmentsupramolecular synthons

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Area of Science:

  • Medicinal Chemistry
  • Drug Discovery
  • Supramolecular Chemistry

Background:

  • Molecular pharmacophores are established markers of drug action in medicinal molecules.
  • Current drug design strategies can be complex and costly.
  • There is a need for efficient and economical routes to novel drugs with high bioavailability.

Purpose of the Study:

  • To propose the heterosynthon as a key element in designing high bioavailability drugs.
  • To establish an analogy between molecular pharmacophores and heterosynthons in drug discovery.
  • To explore the potential of heterosynthons for more efficient and economical drug development.

Main Methods:

  • Conceptual framework development.
  • Literature review on pharmacophores and supramolecular synthons.
  • Comparative analysis of molecular pharmacophore and heterosynthon roles.

Main Results:

  • Heterosynthons can serve as supramolecular synthons analogous to molecular pharmacophores.
  • This analogy suggests a novel strategy for drug design.
  • Heterosynthons offer a potential route to improved drug bioavailability.

Conclusions:

  • The heterosynthon concept provides a promising new paradigm for medicinal chemistry.
  • Utilizing heterosynthons may lead to more efficient and cost-effective discovery of novel drugs.
  • This approach has the potential to significantly impact the development of high bioavailability therapeutics.