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Novel 5-HT7 receptor inverse agonists. Synthesis and molecular modeling of arylpiperazine- and 1,2,3,4-tetrahydroisoquinoline-based arylsulfonamides.
TLDR
Docking of inverse agonists at the binding site of a model of the helical parts of the 5-HT7 receptor, based on the alpha carbon template for 7-TM GPCRs, revealed interesting molecular interactions and a possible explanation for observed structure-activity relationships.
Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site.
TLDR
The pharmacophore for 5-HT(7) receptor agonism was determined and two CoMFA models were developed, based on different alignments of the agonists, which show good correlations between experimental and predictive pK(i) values and show a high degree of similarity.
Conformational properties of melatonin and two conformationally restricted agonists: a molecular mechanics and NMR spectroscopic study.
TLDR
NMR experiments indicated that intra-molecular interaction between the amide-H and the aromatic system lowers the relative energies of several conformations of both melatonin and the 2-amidotetralins in solution.
DITHIENOTHIAZINES AND THIENOBENZOTHIAZINES
The synthesis of some isomeric dithienothiazine systems has been described. These thiazines were made by an Ullman type cyclization reaction, starting with the appropriate dithienyl-sulphides. During
Facile syntheses of potent dopaminergic argonists and their effect on neurotransmitter release.
TLDR
The facile syntheses of important intermediates used in the preparation of the two potent dopaminergic argonists, 2-amino-6,7-dihydroxytetrahydronaphthalene (11) and its 5,6- dihydroxyl isomer 12, are described, showing the importance of the catechol function in this uptake--release process.
Correlation between neuroleptic‐induced suppression of stereotyped behaviour and HVA concentrations in rat brain
TLDR
It is investigated whether correlations can be found between induced changes in dopamine metabolite concentrations in rat brain and data of animal tests used for the assessment of neuroleptic potency.
A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides
TLDR
A well-known set of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides, with affinity towards the dopamine D2 receptor subtype, was utilised for the validation of the multilinear PLS method.
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