Abstract
Thromboxane A2 (TxA2), a bioactive metabolite of the Arachidonic acid (AA), is a potent mediator of platelet aggregation, vasoconstriction and bronchoconstriction. It plays an important role in major human diseases, such as myocardial infraction, unstable angina, pregnancy-induced hypertension and preeclampsia, thrombosis and thrombotic disorders, pulmonary hypertension, asthma, septic shock, atherosclerosis, lupus nephritis, and Raynauds phenomenon. Thus, TxA2 is a therapeutic target for many research groups. A number of TXA(2) receptor antagonists as well as thromboxane synthase inhibitors have been developed. In this research we review and evaluate new quantitative structure activity relationships of thromboxane synthase inhibitors and thromboxane receptor antagonists, using the C-QSAR program of Biobyte. Lipophicity, as Clog P is a significant physicochemical parameter for this biological response. CMR/MR molar refractivity as well as sterimol parameters seemed to be important as well Molecular Volume. Electronic effects with the exception of σ Hammetts constant are not found to govern the biological activity. The derived equations will be very helpful for the design of new potent molecules.
Keywords: QSAR, thromobxane synthase inhibitors, thormboxane receptor antagonists, lipophilicity, steric factors
Current Medicinal Chemistry
Title: Thromboxane Synthase Inhibitors and Thromboxane A2 Receptor Antagonists: A Quantitative Structure Activity Relationships (QSARs) Analysis
Volume: 17 Issue: 28
Author(s): C. Kontogiorgis and D. Hadjipavlou-Litina
Affiliation:
Keywords: QSAR, thromobxane synthase inhibitors, thormboxane receptor antagonists, lipophilicity, steric factors
Abstract: Thromboxane A2 (TxA2), a bioactive metabolite of the Arachidonic acid (AA), is a potent mediator of platelet aggregation, vasoconstriction and bronchoconstriction. It plays an important role in major human diseases, such as myocardial infraction, unstable angina, pregnancy-induced hypertension and preeclampsia, thrombosis and thrombotic disorders, pulmonary hypertension, asthma, septic shock, atherosclerosis, lupus nephritis, and Raynauds phenomenon. Thus, TxA2 is a therapeutic target for many research groups. A number of TXA(2) receptor antagonists as well as thromboxane synthase inhibitors have been developed. In this research we review and evaluate new quantitative structure activity relationships of thromboxane synthase inhibitors and thromboxane receptor antagonists, using the C-QSAR program of Biobyte. Lipophicity, as Clog P is a significant physicochemical parameter for this biological response. CMR/MR molar refractivity as well as sterimol parameters seemed to be important as well Molecular Volume. Electronic effects with the exception of σ Hammetts constant are not found to govern the biological activity. The derived equations will be very helpful for the design of new potent molecules.
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Kontogiorgis C. and Hadjipavlou-Litina D., Thromboxane Synthase Inhibitors and Thromboxane A2 Receptor Antagonists: A Quantitative Structure Activity Relationships (QSARs) Analysis, Current Medicinal Chemistry 2010; 17 (28) . https://dx.doi.org/10.2174/092986710792231978
DOI https://dx.doi.org/10.2174/092986710792231978 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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