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On the Modeling of Some Anti-inflammatory and Anti-thrombotic Drugs by AM1 |
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| Authors: | Rodrigues C.R. Barreiro E.J. Romeiro N.C. Albuquerque M.G. De Sant'anna C.M.R. Bicca De Alencastro R. Da Motta Neto J.D. |
| Affiliation: | 1.LASSBio, Faculdade de Farmácia da Universidade Federal do Rio de Janeiro, Ilha do Fund?o, Rio de Janeiro, RJ-21944-910, Brazil ;2.Physical Organic Chemistry Group, Instituto de Química da Universidade Federal do Rio de Janeiro, Ilha do Fund?o, Rio de Janeiro, RJ-21949-900, Brazil ;3.Quantum Theory Project, University of Florida, 348 Williamson Hall, PO Box 118435, Gainesville, Florida, 32611-8435, U.S.A ; |
| Abstract: | Two families of autacoids from cell membrane phospholipids have been identified. The first, the icosanoids, which are formed from arachidonic acid, include prostaglandins and leukotrienes. The other includes modified phospholipids, as the platelet aggregating factor (PAF). These compounds are related to inflammatory and cardiovascular diseases. We review in this paper some of the work that has been done in our laboratories in the last few years relating to the modeling of new potential thromboxane synthase (TXS) and 5-lipoxygenase (5-LO) and cyclooxygenase (COX) inhibitors, and TXA2 receptor antagonists derived from nitrogenated heterocycles. We include the results of the modeling of a group of proposed PAF antagonists, and compare their structures with PAF itself and with a recently proposed PAF antagonist model. This revised version was published online in June 2006 with corrections to the Cover Date. |
| Keywords: | AM1 anti-inflammatory and anti-thrombotic drugs PAF PAF antagonists |
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