Application of molecular topology to the prediction of inhibition of Trypanosoma cruzi Hexokinase by bisphosphonates

Se ha desarrollado un modelo topológico-matemático para la búsqueda de nuevos derivados bisfosfonatos activos frente a la hexokinasa de Trypanosoma cruzi. Utilizando el análisis lineal discriminante se ha seleccionado una función con cuatro variables capaz de predecir adecuadamente la CI50 para cada compuesto de las series de entrenamiento y test. El modelo propuesto se ha aplicado a una librería molecular y se han propuesto nuevas estructuras potencialmente activas frente a T. cruzi.A topological-mathematical model has been arranged to search for new derivatives of bisphosphonate compounds acting as inhibitors against Trypanosoma cruzi hexokinase. By using linear discriminant analysis, a four-variable function was achieved allowing an accurate prediction of the IC50 for each compound of the training and test series. After carrying out a virtual screening based upon such a model, new structures potentially actives against T. cruzi are proposed.Este trabajo ha sido posible gracias al Fondo de Investigación Sanitaria, Ministerio de Sanidad, España (proyecto SAF2005-PIO52128) y al Máster Internacional en Enfermedades Parasitarias Tropicales, Universidad de Valencia

Growth and nutrient absorption of Cape Gooseberry (Physalis Peruviana L.) in soilless culture

"This is an Author's Accepted Manuscript of an article published in [include the complete citation information for the final version of the article as published in the Journal of Plant Nutrition 2015 March, available online at: http://www.tandfonline.com/10.1080/01904167.2014.934474."Cape gooseberry (Physalis peruviana L.) is a solanaceous plant. The growth and time-course of nutrient accumulation of the plant and its partitioning between roots, stems, leaves, and fruits were examined. The study was conducted analyzing two nutrient solutions in soilless culture under greenhouse conditions during two consecutive seasons. The macronutrient contents were analyzed. On average, the yield was 8.9 t.ha(-1). Growth of the plant until 90 d after transplanting obeys an exponential function of time and the relative growth rate for this period was determined. Nitrogen (N) was the element that showed the highest concentration, corresponding to leaves (4.67%), followed by potassium (K) in stems (4.46%). The highest accumulations of N, phosphorous (P), calcium (Ca), and magnesium (Mg) were found in leaves and of K in the stems. Potassium showed the highest nutrient accumulation (29 g.plant(-1)) and the highest specific uptake rate.Torres Rubio, JF.; Pascual Seva, N.; San Bautista Primo, A.; Pascual España, B.; López Galarza, SV.; Alagarda Pardo, J.; Maroto Borrego, JV. (2015). Growth and nutrient absorption of Cape Gooseberry (Physalis Peruviana L.) in soilless culture. Journal of Plant Nutrition. 38(4):485-496. doi:10.1080/01904167.2014.934474S485496384Bellaloui, N., & Brown, P. H. (1998). Plant and Soil, 198(2), 153-158. doi:10.1023/a:1004343031242Bennett, J. P., Oshima, R. J., & Lippert, L. F. (1979). Effects of ozone on injury and dry matter partitioning in pepper plants. 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Food Research International, 44(7), 1733-1740. doi:10.1016/j.foodres.2010.09.034Radford, P. J. (1967). Growth Analysis Formulae - Their Use and Abuse1. Crop Science, 7(3), 171. doi:10.2135/cropsci1967.0011183x000700030001xRamadan, M. F., & Moersel, J. T. (2007). Impact of enzymatic treatment on chemical composition, physicochemical properties and radical scavenging activity of goldenberry (Physalis peruviana L.) juice. Journal of the Science of Food and Agriculture, 87(3), 452-460. doi:10.1002/jsfa.2728Ramadan, M. F., & Moersel, J.-T. (2009). Oil extractability from enzymatically treated goldenberry (Physalis peruvianaL.) pomace: range of operational variables. International Journal of Food Science & Technology, 44(3), 435-444. doi:10.1111/j.1365-2621.2006.01511.xSalazar, M. R., Jones, J. W., Chaves, B., & Cooman, A. (2008). A model for the potential production and dry matter distribution of Cape gooseberry (Physalis peruviana L.). Scientia Horticulturae, 115(2), 142-148. doi:10.1016/j.scienta.2007.08.015Scholberg, J., McNeal, B. L., Jones, J. W., Boote, K. J., Stanley, C. D., & Obreza, T. A. (2000). Growth and Canopy Characteristics of Field-Grown Tomato. Agronomy Journal, 92(1), 152. doi:10.2134/agronj2000.921152xTrinchero, G. D., Sozzi, G. O., Cerri, A. M., Vilella, F., & Fraschina, A. A. (1999). Ripening-related changes in ethylene production, respiration rate and cell-wall enzyme activity in goldenberry (Physalis peruviana L.), a solanaceous species. Postharvest Biology and Technology, 16(2), 139-145. doi:10.1016/s0925-5214(99)00011-3Turner, A. (1994). Dry Matter Assimilation and Partitioning in Pepper Cultivars Differing in Susceptibility to Stress-induced Bud and Flower Abscission. Annals of Botany, 73(6), 617-622. doi:10.1006/anbo.1994.1077WILLIAMS, R. F. (1946). The Physiology of Plant Growth with Special Reference to the Concept of Net Assimilation Rate. Annals of Botany, 10(1), 41-72. doi:10.1093/oxfordjournals.aob.a083119Zapata, J.L., A. Saldarriaga, M. Londoño, and C. Díaz. 2002. Cape gooseberry Management in Colombia. Antioquia, Colombia: Rionegro, Programa Nacional de Transferencia de Tecnología Agropecuaria - Corpoica Regional Cuatro (in Spanish).Zerihun, A. (2000). Compensatory Roles of Nitrogen Uptake and Photosynthetic N-use Efficiency in Determining Plant Growth Response to Elevated CO2: Evaluation Using a Functional Balance Model. Annals of Botany, 86(4), 723-730. doi:10.1006/anbo.2000.123