Estudos químicos e biológicos de Microgramma vacciniifolia (Langsd. & Fisch.) Copel (Polypodiaceae)

Chemical studies with aerial parts of Microgramma vacciniifolia (Langsd. & Fisch.) Copel. afforded ²-sitosterol, hopan-22-ol, 6-metoxiapinenin-7-O-²-D-allopyranoside and a mixture containing ethyl esters of carboxilic acids. The structures of the coumpounds were elucidated by spectroscopy and GC-MS analysis. The total phenolics contents of the crude extract and fractions were determined by Folin-Ciocalteau method. The antioxidant activity was evaluated using the 2,2-diphenyl-1-picrylhydrazyl (DPPH). The AcOEt fraction showed better activity in DPPH assay (9.9 ± 0.03 µg/mL), and presented also higher contents of the total phenolic (93.60 ± 1.11 µg/mg). Antimicrobial and allelopathic effects of the crude etanolic extract and fractions also were evaluated. In addition, the combination of biological activities was discussed.

Traçadores: o uso de agentes químicos para estudos hidrológicos, ambientais, petroquímicos e biológicos

This paper presents a revision of the history, definitions, and classification of tracers (natural and artificial, internal and external). The fundamental ideas concerning tracers are described, followed by their application illustrated by typical examples. The advantages and disadvantages of five classes among the most frequently used external tracers (fluorescent, microbial, chemical, radioactive and activable isotopes) are also described in detail. This review also presents some interesting and modern applications of tracers in the areas of diagnostics in medical practice, environmental pollution, hydrology and petroleum chemistry.

Líquido iônico [bmim.PF6] como solvente: um meio conveniente para estudos por fotólise por pulso de laser

The spectroscopic behavior of thioxanthone and benzil (diphenylethanedione or dibenzoyl) in the ionic liquid [bmim.PF6] has been investigated employing the laser flash photolysis technique. Triplet-triplet absorption spectra for these carbonyl compounds in [bmim.PF6] are similar to those observed in organic solvents. The triplet lifetime for thioxanthone in desogygenated samples is very long (71 μs), whereas in oxygen-saturated solution is 500 ns, which indicates the low oxygen solubility in this solvent. For benzil, lifetimes of 10 μs in [bmim.PF6] and 3.8 μs in acetonitrile were obtained. The decay for triplet thioxanthone and benzil follows a clear first order kinetics in [bmim.PF6], from which one can conclude that triplet-triplet annihilation is not an important decay process in this solvent.

Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana

Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r²=0.82, q²=0.76, with two PCs) and high predictive power (r²predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.

Propriedades químico-quânticas empregadas em estudos das relações estrutura-atividade

In this work we show that structure-activity relationship studies are of great importance in modern chemistry and biochemistry. In order to obtain a significant correlation, it is crucial that appropriate descriptors be employed. Thus, quantum chemical calculations are an attractive source of new molecular descriptors which can, in principle, express all the electronic and geometric properties of molecules and their interactions with the biological receptor.

Síntese, caracterização e estudos de interação de um análogo da antitoxina CcdA empregando fluorescência no estado estacionário

Toxin-antitoxin (TA) systems contribute to plasmid stability by a mechanism called post-segregational killing. The ccd was the first TA system to be discovered with CcdB being the toxin and CcdA the antitoxin. CcdA, an 8.3 kDa protein, interacts with CcdB (11.7 kDa), preventing the cytotoxic activity of CcdB on the DNA gyrase. As an approach to understanding this interaction, CcdA41, a polypeptide derived from CcdA, was synthesized by solid-phase methodology and its interaction with CcdB was analyzed by steady state fluorescence. CcdA41 formed a stable complex with CcdBET2, a peptide based on CcdB, the more recently described bacterial topoisomerase inhibitor.

Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica

This paper describes 2D-QSAR and 3D-QSAR studies against Candida albicans and Cryptococcus neofarmans for a set of 20 bisbenzamidines. In the studies of 2D-QSAR with C. albicans it was obtained a correlation between log MIC-1 and lipolo component-Z (r² = 0.68; Q² = 0.51). In the case of C. neofarmans a correlation between log MIC-1 and lipolo component-Z and of Balaban index (r² = 0.85; Q² = 0.6) was obtained. 3D-QSAR studies using CoMFA showed that the steric fields contributed more to the predicted activities for Candida albicans (94.9%) and Cryptococcus neofarmans (97.9%).