Analysis of the calculated physicochemical properties of respiratory drugs: can we design for inhaled drugs yet?
From an analysis of calculated physicochemical properties for 81 currently marketed respiratory drugs, compounds administered via the inhaled/intranasal routes have a higher polar surface area, a higher molecular weight, and a trend toward lower lipophilicity, when compared with their orally administered counterparts. Ranges of physicochemical space are described for the 29 drugs administered by the inhaled or intranasal routes.
Ritchie
Timothy J
TJ
Respiratory CEDD, GlaxoSmithKline Research Medicines Centre, Gunnels Wood Road, Stevenage SG1 2NY, U.K.
Luscombe
Christopher N
CN
Macdonald
Simon J F
SJ
D000280:Administration, Inhalation; D000281:Administration, Intranasal; D058666:Adrenergic beta-2 Receptor Agonists; D000318:Adrenergic beta-Agonists / Q000008:administration & dosage / Q000737:chemistry; D003198:Computer Simulation; D015195:Drug Design; D006860:Hydrogen Bonding; D008055:Lipids / Q000737:chemistry; D008968:Molecular Conformation; D008970:Molecular Weight; D025341:Principal Component Analysis; D019141:Respiratory System Agents / Q000737:chemistry*; D013329:Structure-Activity Relationship
D058666:Adrenergic beta-2 Receptor Agonists; D000318:Adrenergic beta-Agonists; D008055:Lipids; D019141:Respiratory System Agents