PubMed Health⌕ Search
Home/Archive/PubMed

PubMed · 7783140

Receptor surface models. 2. Application to quantitative structure-activity relationships studies.

M Hahn·D Rogers
View original source ↗Export metadata ↓

Abstract

A new technique for using receptor surface models in quantitative structure-activity relationship (QSAR) analysis is described. Receptor surface models provide compact, quantitative descriptors which capture three-dimensional information about putative receptor/ligand interactions. Receptor surface models can be constructed quickly, which allows the construction of multiple plausible models; a variable selection technique such as genetic function approximation (GFA) can then be used to suggest which receptor surface models provide the most valuable descriptors for QSAR. Advantages of this approach are shown by applying it against two previously-published and well-studied QSAR data sets. Our results indicate that the approach can model data as effectively as established 3D-QSAR techniques.

Explore related subjects

Adrenal Cortex HormonesGlobulinsMixed Function OxygenasesModels, MolecularProtein ConformationReceptors, DrugStructure-Activity RelationshipJournal Article

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

M Hahn, D Rogers. 1995-06-09. Receptor surface models. 2. Application to quantitative structure-activity relationships studies.. https://doi.org/10.1021/jm00012a008

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related citations

PubMed1996

Neuroendocrine regulation of cytokine production during experimental influenza viral infection: effects of restraint stress-induced elevation in endogenous corticosterone.

A murine model of influenza viral infection was used to examine the neuroendocrine regulation of cytokine production. Restraint stress (RST) was used to activate the hypothalamic-pituitary-adrenal axis and elevate corticosterone (CORT) levels in influenza A/Puerto Rico/8/34 (PR8) virus-infected C57BL/6 mice. The type II glucocorticoid receptor antagonist RU486 was used to specifically examine the modulation of PR8 virus-specific cytokine responses by CORT. RST suppressed the PR8 virus- specific production of Th1-type (IL-2 and IFN-gamma) and Th2-type IL-10) cytokines by cells from the regional lymph nodes and spleens. In addition, IL-6 production by splenocytes was inhibited by RST; however, IL-6 production by cells from the regional lymph nodes was enhanced. Treatment of mice with RU486 prevented the effects of RST, suggesting that the RST-induced alterations in cytokine responses were mediated by CORT. Furthermore, CORT was shown to inhibit the PR8 virus-specific production of both Thl-type and Th2-type cytokines in vitro at doses corresponding to the physiologic range of free plasma CORT following hypothalamic-pituitary-adrenal axis activation.

Adrenal Cortex Hormones↗
PubMed1996

Psoriasis.

Psoriasis is an inherited condition that may require specific environmental factors to become activated; immunological factors are clearly important in pathogenesis. Psoriasis is incurable and characterised by exacerbations and remissions, but much can be done to relieve symptoms. Diagnosis relies on clinical features, particularly the characteristic appearance and history of the lesions. Management needs to address both medical and psychological aspects and to be flexible in response to changes in the condition and in patient needs. Choice of treatment should proceed stepwise, with general measures and topical therapy first, phototherapy second and oral therapy last. Topical therapy includes tars, dithranol and topical corticosteroids. Oral therapy includes methotrexate, acitretin, cyclosporin and propylthiouracil. Combination therapy is often needed and rotation of therapies is critical; rigid adherence to one line of therapy is usually inappropriate.

Adrenal Cortex Hormones↗