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Structure and molecular modeling of GABAA receptor antagonists.
The recently described potent and selective GABAA antagonist SR 95531 (gabazine) is compared to six other GABAA antagonists: (+)-bicuculline, (-)-securinine, (+)-tubocurarine, iso-THAZ, R-5135, andExpand
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A Model for the Complex Between the Hypoxia-Inducible Factor-1 (HIF-1) and its Consensus DNA Sequence
Abstract Hypoxia-inducible factor-1 (HIF-1) is a heterodimeric transcription factor activated by hypoxia. When activated, HIF-1 mediates the differential expression of genes such as erythropoietinExpand
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Structural insights into human 5-lipoxygenase inhibition: combined ligand-based and target-based approach.
The human 5-LOX enzyme and its interaction with competitive inhibitors were investigated by means of a combined ligand-based and target-based approach. First, a pharmacophore model was generated forExpand
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Polymorphism and intersolubility of some palmitic, stearic and oleic triglycerides: PPP, PSP and POP
The polymorphism and intersolubility of a series of palmitic, stearic and oleic triglycerides have been investigated in order to understand the thermal properties of fractions of natural fats.Expand
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Polymorphism of stabilized and nonstabilized tristearin, pure and in the presence of food emulsifiers
The polymorphism of tristearin (SSS) was studied by means of differential scanning calorimetry and powder X-ray diffraction. The influence of 5% in weight of different food emulsifiers—i.e.,Expand
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New COX-2/5-LOX inhibitors: apoptosis-inducing agents potentially useful in prostate cancer chemotherapy.
The arachidonic acid metabolizing enzymes cyclooxygenase-2 (COX-2) and lipoxygenases (LOXs) have been found to be implicated in a variety of cancers, including prostate cancer. To develop newExpand
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A reversible monoamine oxidase A inhibitor, befloxatone: structural approach of its mechanism of action.
Experimental and theoretical physico-chemical methods were used to investigate the interaction between several reversible monoamine oxidase A inhibitors in the oxazolidinone series and the activeExpand
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Structure-based pharmacophore of COX-2 selective inhibitors and identification of original lead compounds from 3D database searching method.
A four-point pharmacophore of COX-2 selective inhibitors was derived from a training set of 16 compounds, using the Catalyst program. It consists of a H bond acceptor, two hydrophobic groups and anExpand
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A database study of intermolecular NH⋯O hydrogen bonds for carboxylates, sulfonates and monohydrogen phosphonates
A search of the Cambridge Structural Database (CSD, version 5.05, 1993) was performed in order to compare the geometrical features of the hydrogen bonds involving on the one hand amino groups and onExpand
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