<p>A combined molecular modeling and molecular dynamics simulation was carried out to obtain an improved description of the yeast acetohydroxyacid synthase (AHAS) in aqueous solution. After a thorough homology modeling, the AHAS catalytic dimer was subjected to a molecular dynamics (MD) simulation to analyze its behavior and optimize its geometry. The AHAS 3D molecular structure was analyzed according to the number of salt bridges and hydrogen bonds formed. During 20 ns of MD simulation, an average fluctuation of 3.9 Å was obtained. The cofactor thiamine diphosphate makes a relevant contribution to the system stability; this hypothesis was confirmed by the decrease in the average fluctuation of 0.3 Å. Moreover, the Ramachandran plot revealed no denaturation framework during the time of the simulation.</p>

Óleo essencial de manjericão (Ocimum basilicum L.) com alta concentração de linalol é valorizado no mercado internacional e amplamente usado nas indústrias de condimentos e cosméticos. Há poucas informações a respeito do cultivo de manjericão e, portanto o presente trabalho teve o objetivo de avaliar o teor, o rendimento e a qualidade de óleo essencial de genótipos de manjericão em função de níveis de adubação orgânica com cama de frango nas condições de inverno sob irrigação. O experimento foi conduzido na Fazenda Experimental do Glória, pertencente à Universidade Federal de Uberlândia. Foram testados cinco níveis de adubação, sendo 2; 4; 6; 8 e 10 kg de cama de frango por m². O delineamento experimental utilizado foi de blocos ao acaso em esquema fatorial 5 x 2, com quatro repetições. Foram semeados os genótipos Manjericão PI 197442-S3 (G1) e Manjericão NSL 6421-S3 (G2). O óleo essencial foi extraído por hidrodestilações com aparelho tipo Clevenger modificado. Avaliou-se a altura da planta; comprimento e largura de folha; relação comprimento/largura (C/L); teor e rendimento de óleo essencial, e teor de linalol no óleo essencial extraído de folhas e inflorescências frescas e secas. As doses de adubo influenciaram significativamente o teor de linalol do óleo essencial destilado a partir de parte aérea fresca e seca dos genótipos 1 e 2. As outras variáveis não apresentaram diferenças significativas.

Basil (Ocimum basilicum L.), essential oil with high linalool content, is appreciated in the international market and widely used in spice and cosmetics industries. There are few informations available for basil cultivation, and therefore, the aim of this work was to evaluate the content, yield and quality of the essential oil of basil genotypes depending on organic fertilizer levels in the winter and using irrigation. The experiment was carried out in the Universidade Federal de Uberlândia. Five fertilizer levels were evaluated: 2; 4; 6; 8 and 10 kg of chicken manure per m². A completely randomized blocks design in factorial scheme was used with four replications. Two basil genotypes were sown: PI 197442-S3 (G1) and NSL 6421-S3 (G2). Hydrodistillation with a modified Clevenger was realized for essential oil extraction. We evaluated the plant height; length and width of leaves; length/width relation (C/L); content and yield of essential oil; and linalool content in the essential oil extracted from fresh and dry leaves and flowers. The chicken manure levels had significantly influenced the linalool content in the distilled essential oil from fresh and dry leaves and flowers of both genotypes. The other variables did not present significant difference.