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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| Veröffentlicht in: | Journal of medicinal chemistry 1991-08, Vol.34 (8), p.2338-2343 |
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| container_end_page | 2343 |
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| container_issue | 8 |
| container_start_page | 2338 |
| container_title | Journal of medicinal chemistry |
| container_volume | 34 |
| creator | Bjorkroth, J. P Pakkanen, T. A Lindroos, J Pohjala, E Hanhijarvi, H Lauren, L Hannuniemi, R Juhakoski, A Kippo, K Kleimola, T |
| description | 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. |
| doi_str_mv | 10.1021/jm00112a004 |
| format | Article |
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P ; Pakkanen, T. A ; Lindroos, J ; Pohjala, E ; Hanhijarvi, H ; Lauren, L ; Hannuniemi, R ; Juhakoski, A ; Kippo, K ; Kleimola, T</creator><creatorcontrib>Bjorkroth, J. P ; Pakkanen, T. A ; Lindroos, J ; Pohjala, E ; Hanhijarvi, H ; Lauren, L ; Hannuniemi, R ; Juhakoski, A ; Kippo, K ; Kleimola, T</creatorcontrib><description>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.</description><identifier>ISSN: 0022-2623</identifier><identifier>EISSN: 1520-4804</identifier><identifier>DOI: 10.1021/jm00112a004</identifier><identifier>PMID: 1831506</identifier><identifier>CODEN: JMCMAR</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>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. 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P</creatorcontrib><creatorcontrib>Pakkanen, T. A</creatorcontrib><creatorcontrib>Lindroos, J</creatorcontrib><creatorcontrib>Pohjala, E</creatorcontrib><creatorcontrib>Hanhijarvi, H</creatorcontrib><creatorcontrib>Lauren, L</creatorcontrib><creatorcontrib>Hannuniemi, R</creatorcontrib><creatorcontrib>Juhakoski, A</creatorcontrib><creatorcontrib>Kippo, K</creatorcontrib><creatorcontrib>Kleimola, T</creatorcontrib><title>Comparative molecular field analysis of some clodronic acid esters</title><title>Journal of medicinal chemistry</title><addtitle>J. Med. Chem</addtitle><description>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.</description><subject>Animals</subject><subject>Biological and medical sciences</subject><subject>Biological Availability</subject><subject>Bone and Bones - drug effects</subject><subject>Bone and Bones - metabolism</subject><subject>Bone Resorption</subject><subject>Bones, joints and connective tissue. Antiinflammatory agents</subject><subject>Calcium - blood</subject><subject>Calcium Radioisotopes</subject><subject>Chemical Phenomena</subject><subject>Chemistry, Physical</subject><subject>Clodronic Acid - chemistry</subject><subject>Clodronic Acid - pharmacokinetics</subject><subject>Clodronic Acid - pharmacology</subject><subject>Esters</subject><subject>Male</subject><subject>Medical sciences</subject><subject>Mice</subject><subject>Molecular Structure</subject><subject>Parathyroidectomy</subject><subject>Pharmacology. Drug treatments</subject><subject>Rats</subject><subject>Rats, Inbred Strains</subject><subject>Structure-Activity Relationship</subject><subject>Thyroidectomy</subject><issn>0022-2623</issn><issn>1520-4804</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1991</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpt0E1v1DAQBmALgcpSOHFGygGVAwrM-CvJEbalgIpAYkHcrIntSF6c9dbeIPrvSZVV4cBpDu-jmdHL2FOEVwgcX29HAEROAPIeW6HiUMsW5H22AuC85pqLh-xRKVsAEMjFCTvBVqACvWJv12ncU6ZD-OWrMUVvp0i5GoKPrqIdxZsSSpWGqqTRVzYml9Mu2IpscJUvB5_LY_ZgoFj8k-M8Zd_eXWzW7-urz5cf1m-uahKtONQO-4HQS-y0dJ1CUkOvZEOkUVvXoBJdryy5TnDltessB1Samqb3wqKS4pSdLXv3OV1P820zhmJ9jLTzaSqm4aCEbMUMXy7Q5lRK9oPZ5zBSvjEI5rYx809js352XDv1o3d_7VLRnD8_5lQsxSHTzoZyx2TXtRq6mdULC3Mpv-9iyj-NbkSjzObLV_PjfPP94yfZGj77F4snW8w2TXnuuvz3wT_pYo2b</recordid><startdate>19910801</startdate><enddate>19910801</enddate><creator>Bjorkroth, J. P</creator><creator>Pakkanen, T. 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A ; Lindroos, J ; Pohjala, E ; Hanhijarvi, H ; Lauren, L ; Hannuniemi, R ; Juhakoski, A ; Kippo, K ; Kleimola, T</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a383t-d1bfa1e41964d951a5fb547aa616cd71539b5cad9325e6d9c20156a77be3c1543</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1991</creationdate><topic>Animals</topic><topic>Biological and medical sciences</topic><topic>Biological Availability</topic><topic>Bone and Bones - drug effects</topic><topic>Bone and Bones - metabolism</topic><topic>Bone Resorption</topic><topic>Bones, joints and connective tissue. Antiinflammatory agents</topic><topic>Calcium - blood</topic><topic>Calcium Radioisotopes</topic><topic>Chemical Phenomena</topic><topic>Chemistry, Physical</topic><topic>Clodronic Acid - chemistry</topic><topic>Clodronic Acid - pharmacokinetics</topic><topic>Clodronic Acid - pharmacology</topic><topic>Esters</topic><topic>Male</topic><topic>Medical sciences</topic><topic>Mice</topic><topic>Molecular Structure</topic><topic>Parathyroidectomy</topic><topic>Pharmacology. Drug treatments</topic><topic>Rats</topic><topic>Rats, Inbred Strains</topic><topic>Structure-Activity Relationship</topic><topic>Thyroidectomy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Bjorkroth, J. P</creatorcontrib><creatorcontrib>Pakkanen, T. 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A</au><au>Lindroos, J</au><au>Pohjala, E</au><au>Hanhijarvi, H</au><au>Lauren, L</au><au>Hannuniemi, R</au><au>Juhakoski, A</au><au>Kippo, K</au><au>Kleimola, T</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Comparative molecular field analysis of some clodronic acid esters</atitle><jtitle>Journal of medicinal chemistry</jtitle><addtitle>J. Med. Chem</addtitle><date>1991-08-01</date><risdate>1991</risdate><volume>34</volume><issue>8</issue><spage>2338</spage><epage>2343</epage><pages>2338-2343</pages><issn>0022-2623</issn><eissn>1520-4804</eissn><coden>JMCMAR</coden><abstract>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.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><pmid>1831506</pmid><doi>10.1021/jm00112a004</doi><tpages>6</tpages></addata></record> |
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| identifier | ISSN: 0022-2623 |
| ispartof | Journal of medicinal chemistry, 1991-08, Vol.34 (8), p.2338-2343 |
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| language | eng |
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| source | MEDLINE; American Chemical Society Journals |
| 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 |
| title | Comparative molecular field analysis of some clodronic acid esters |
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