Aurea Donizete Lanchote Borges

INTRODUÇÃO A MODELAGEM MOLECULAR DE FÁRMACOS NO CURSO EXPERIMENTAL DE QUÍMICA FARMACÊUTICA

Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and calculate physical properties of drugs. In this work, we describe a practical approach of molecular modeling as a powerful tool to study structure-activity relationships of drugs, including some antibacterials, hormones, cholinergic and adrenergic agents. At first, the students learn how to draw 3D structures and use them to perform conformational and molecular analysis. Thus, they compare drugs with similar pharmacological activity by superimposing one structure on the top of another and evaluate the geometry and physical properties.

Boron trifluoride etherate as a catalyst in acylation of ferrocene

Ferrocene was acylated in acetic or propionic anhydride, in presence of boron trifluoride etherate giving acetyl ferrocene (1) (in quantitative yields) or propionyl ferrocene (2) (in high yields). A more general procedure is based on the reaction between ferrocene and carboxylic anhydrides or acyl halides in presence of ascorbic acid. Acetyl, propionyl, benzoyl, anisoyl and 3-phenyl propionyl ferrocenes (1–5) were obtained in moderate to high yields.

Improvements in the Preparation of Cyclopentadienyl Thallium and Methylcyclopentadienylthallium and in Their Use in Organometallic Chemistry

Abstract Improved preparation methods of cyclopentadienylthallium and methyl-cyclopentadienylthallium, giving quantitative yields and incorporating ultrasound techniques, are described. Their use as starting materials for a wide range of organometallic syntheses is discussed and demonstrated. Referee I: H. Schumann Referee II: W. Frank

Mercury(II) Trichloroacetate. Part II. Formation and Use as a Versatile Reagent in Ferrocene Chemistry

Abstract The preparation of a methanolic solution of mercury(II) trichloroacetate is described. This reagent is used in an improved decamercuration of ferrocene. Decamercurated ferrocene is converted to decahaloferrocenes and used as the starting material in a new method for the synthesis of decadeuteroferrocene. Referee I: T. J. Haas Referee II: P. F. Brandt

HPLC analysis of glycosylated amino acids

This work describes the standardization of HPLC analysis methodology for the identification and separation of the glycosylated amino acids (building blocks) 3, 4, 7 and 8 and their respective precursors. The glycosylated amino acids containing the sugar units b-D-GlcNAc (3 and 7) O-linked to threonine amino acids are involved in cellular signalling events, and the correspondent isomers 4 and 8, possessing a-D-GlcNAc units are related to O-glycans found in mucins of the parasite Trypanosoma cruzi. The developed methodology is advantageous and efficient as it permits the analysis of crude reaction mixtures, avoiding exhaustive purification processes.

Síntese de sulfadiazina e sulfadiazina de prata em escala semi-micro: prática experimental em síntese de fármacos

The total synthesis of sulfadiazine and silver sulfadiazine from readily available starting materials was adapted to semi-micro laboratory scale and is proposed as an experiment in drug synthesis for undergraduate courses.

Mercury(II) Trichloroacetate. Part I. Formation, Stabilization, Isolation and Decomposition

Abstract The formation, isolation and decomposition of mercury(II) trichloroacetate is described. The reaction between mercury(II) oxide and trichloroacetic acid is conducted in methanolic solution. In this manner the new salt, mercury(II) trichloroacetate, is isolated. Also, the intermediate of its decomposition, mercury(I) trichloroacetate, may be isolated. Referee I: J. A. Landgrebe Referee II: T. D. Getman