Molecular dynamics, flexible docking, virtual screening, ADMET predictions, and molecular interaction field studies to design novel potential MAO-B inhibitors

Monoamine oxidase is a flavoenzyme bound to the mitochondrial outer membranes of the cells, which is responsible for the oxidative deamination of neurotransmitter and dietary amines. It has two distinct isozymic forms, designated MAO-A and MAO-B, each displaying different substrate and inhibitor specificities. They are the well-known targets for antidepressant, Parkinson`s disease, and neuroprotective drugs. Elucidation of the x-ray crystallographic structure of MAO-B has opened the way for the molecular modeling studies. In this work we have used molecular modeling, density functional theory with correlation, virtual screening, flexible docking, molecular dynamics, ADMET predictions, and molecular interaction field studies in order to design new molecules with potential higher selectivity and enzymatic inhibitory activity over MAO-B.

Mao's steps in Monroe's backyard: towards a United States-China hegemonic struggle in Latin America?

Contrary to what could be expected given the United States' historical hegemony of Latin America, growing Chinese influence in this region has not led to a dispute between China and the US. Despite activism of hard-line groups in the United States, both parties have faced the issue with noticeable pragmatism. This attitude could be explained by three variables: the US political negligence towards Latin America in the Post-Cold War, the focus of Sino-Latin American relations on economic rather than geopolitical or ideological affairs, and the scanty relevance of the region in the top priorities of overall Washington-Beijing relations.

A epistemologia do movimento da auto-organização (MAO)

Comunicação oral, não escrita, não submetida a publicação.

Mao, missä sä oot? : Kiinan kulttuurivallankumous Suomen 1960-luvun keskusteluissa

Summary: The discovery of Chairman Mao in Finland in the 1960s

SIRT1 Activates MAO-A in the Brain to Mediate Anxiety and Exploratory Drive.

SIRT1 is a NAD(+)-dependent deacetylase that governs a number of genetic programs to cope with changes in the nutritional status of cells and organisms. Behavioral responses to food abundance are important for the survival of higher animals. Here we used mice with increased or decreased brain SIRT1 to show that this sirtuin regulates anxiety and exploratory drive by activating transcription of the gene encoding the monoamine oxidase A (MAO-A) to reduce serotonin levels in the brain. Indeed, treating animals with MAO-A inhibitors or selective serotonin reuptake inhibitors (SSRIs) normalized anxiety differences between wild-type and mutant animals. SIRT1 deacetylates the brain-specific helix-loop-helix transcription factor NHLH2 on lysine 49 to increase its activation of the MAO-A promoter. Both common and rare variations in the SIRT1 gene were shown to be associated with risk of anxiety in human population samples. Together these data indicate that SIRT1 mediates levels of anxiety, and this regulation may be adaptive in a changing environment of food availability.

Polimerização de estireno utilizando compostos organolantanídeos ativados por MAO

In an attempt to improve the performance of organolanthanide catalysts we investigated the use of the industrially important cocatalyst methylaluminoxane (MAO) to activate organolanthanide compounds in olefin polymerization. The catalytic systems LnBrCp2(THF)2/MAO (Cp=cyclopentadienyl) and LnBrCp*2THF/MAO (Cp*= pentamethylcyclopentadienyl), Ln=Pr and Yb, were active in styrene polymerization but inactive in ethylene and propylene polymerization. These systems produced atactic polystyrene with conversions of up to 8.2% (PrBrCp*2THF, Al/Ln=200, T=80ºC, t=4 h) in toluene. In the absence of solvent, the conversion is 26.0% (1.5 h) and the molar mass of the atactic polystyrene is almost ten times higher (43 kg/mol).

The influence of ideology on the translation of Mao Zedong’s poems

Mao Zedong’s poems hold an important place in the history of Chinese literature. From the perspective of manipulation theory, the paper aims at exploring the influences that ideology exerted on the translation of Mao Zedong’s poems. These influences have manifested themselves mainly in such aspects as the organizing of translation activity, the selection of source texts, the comprehension of the texts and the freedom translators enjoy to render the poems.

Polymerization of ethylene by the tris(pyrazolyl)borate titanium(IV) compound immobilized on MAO-modified silicas

The immobilization of soluble catalyst {Tp(Ms)}TiCl3 (Tp(Ms*)HB(3-mesityl-pyrazolyl)(2)(5-mesityl-pyrazolyl)(-)) on silica and MAO-modified silicas containing 4.0, 8.0 and 23.0 wt.% Al/SiO2 yields active supported catalysts for ethylene polymerization. Among the supported catalysts studied by XRF spectroscopy, higher titanium content was obtained using MAO-modified silica containing 8.0 wt.% Al/SiO2 as support. For the ethylene polymerization reactions carried out in hexane at 60degreesC using a combination of triisobutylaluminum (TiBA) and methylaluminoxane (MAO) (1:1), the activities varied between 24.4 and 113.5 kg of PE/mol [Ti] h. The highest activity is reached using MAO-modified silica containing 4.0 wt.% Al/SiO2 as support. The viscosity-average molecular weights ((M) over bar (v)) of the PE's produced with the supported catalysts varying from 1.44 to 9.94 x 10(5) g/mol with melting temperatures in the range of 125-140degreesC. The use of other Lewis acid cocatalysts, including TiBA, diethylaluminium chloride (DEAC), and trimethylaluminum (TMA) resulted also in the formation of active catalysts for ethylene polymerization. However, the activities are lower than that one using a combination of TiBA and MAO. The viscosity-average molecular weights (R,) of PE's are influenced by varying the cocatalysts as well as the Al/Ti molar ratio. The supported catalyst generated in situ under ethylene atmosphere is roughly four times more active than supported one containing 4.0 wt.% Al/SiO2. (C) 2003 Elsevier B.V. All rights reserved.

Mao Tse Tung, o Campesinato e o Exército na ação revolucionária

This paper aims to analyze some aspects of Mao Tse -Tung’s revolutionary ideas, specially those related to his Organizational Theory and Peasantry. We use some approaches to interact with his ways of thinking, like an interlocution with some of his texts, as also dialogues with some analysts; and how his political ideals progressed in the Chinese scenery, redeeming several categories of country laborers, peasants. Nevertheless, this work also aims to evaluate the role of the Chinese Army in the process; not only because its creation started with the peasants, but also because the Institution was a crucial instrument for achieving the victory of the Revolution. Through its context, this essay is also a suggestion, as a component to be considered in this line of thinking.

Players, Mao II e Falling Man: O terror em três versões (publicado em 2014)

This paper aims at analyzing the different approaches to terror in the novels Players (1977), Mao II (1991) and Falling Man (2007), by the American writer Don DeLillo. In Players, terror is shown as something attractive and exciting to a character who leads a very tedious personal and professional life; in Mao II, it is connected to the kidnapping of a poet and the text brings up relevant debates focusing on the contrast related to the power of novelists and terrorists in society; and in Falling Man, the author reviews the tragedy of September 11, in an attempt to try to understand the reasons why the attacks happened. The novels show terrorist actions connected to historical processes and also to the present form of capitalism and globalization. Theoretical texts by Bauman (1998), Eagleton (2005), Freitas (1989), Fraser (2000) will be used to discuss the issues addressed in this paper.