Comparative molecular field analysis of some clodronic acid esters

Comparative molecular field analysis (CoMFA) has been used as a three-dimensional quantitative structure-activity relationship (QSAR) method to correlate three different types of biological activity data with physicochemical properties of some clodronate ester analogues, which act as bone-resorption...

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Bibliographic Details
Published in:Journal of medicinal chemistry 1991-08, Vol.34 (8), p.2338-2343
Main Authors: Bjorkroth, J. P, Pakkanen, T. A, Lindroos, J, Pohjala, E, Hanhijarvi, H, Lauren, L, Hannuniemi, R, Juhakoski, A, Kippo, K, Kleimola, T
Format: Article
Language:English
Subjects:
Animals
Biological and medical sciences
Biological Availability
Bone and Bones - drug effects
Bone and Bones - metabolism
Bone Resorption
Bones, joints and connective tissue. Antiinflammatory agents
Calcium - blood
Calcium Radioisotopes
Chemical Phenomena
Chemistry, Physical
Clodronic Acid - chemistry
Clodronic Acid - pharmacokinetics
Clodronic Acid - pharmacology
Esters
Male
Medical sciences
Mice
Molecular Structure
Parathyroidectomy
Pharmacology. Drug treatments
Rats
Rats, Inbred Strains
Structure-Activity Relationship
Thyroidectomy
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Summary:Comparative molecular field analysis (CoMFA) has been used as a three-dimensional quantitative structure-activity relationship (QSAR) method to correlate three different types of biological activity data with physicochemical properties of some clodronate ester analogues, which act as bone-resorption regulators in cell cultures and rats. The QSAR studies show the importance of the steric properties of these new bisphosphonate derivatives for the inhibition of bone resorption in bone cell cultures and for their bioavailability in rats. This information will be used in predicting the structure of new more potent bisphosphonic compounds.
ISSN:0022-2623
1520-4804
DOI:10.1021/jm00112a004