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Chemical Study, Predictions In Silico and Larvicide Activity of the Essential Oil of Root Philodendron deflexum Poepp.

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Mosquitos play an important role in the transmission of diseases such as malaria, dengue, chikungunya, Zika virus as filariose that cause a high rate of morbidity and mortality in human populations around the world, especially in subtropical countries. Pharmacokinetic and toxicological predictions were performed for majority compounds in the essential oil of root philodendron deflexum Poepp. Ex Shott, comparing with the commercial compound Temephos (1), such as: human intestinal absorption (HIA), cellular permeability in vitro Caco-2 (P Caco-2), cellular permeability in Maden Darby Canine Kidney (PMDCK), skin permeability (PSkin), plasma proteins binding (PPB) and penetration of the blood brain barrier (C brain/C blood) and toxicological (mutagenicity and carcinogenicity) via the server online PreADMET. The results allowed identifying 41 constituent, being that majority compounds were the following: β-Bisabolene (2), Limonene (3), Undecanol (4), (-)-Isoledene (5), α-Copaene (6), Butil butyryl lactate (7), β-Caryophillene (8), m-Cymene (9), β-Selinene (10). Compounds 4, 5 and 6 showed satisfactory results in comparison with temephos possessing good pharmacokinetic and toxicological results. Larvicide activity bioassays were realized with concentrations 20, 40, 80, 100 and 120 ppm for the species Aedes aegypti and Anopheles albirtasis s.1. The essential oil showed a larvicide potential about the species tested An. Albirtasis s.1 being more sensible (LC50 = 78.28 ppm; LC90 = 123.53 ppm) in 24 h and (LC50 = 75.37 ppm; LC90 115.10 ppm) in 48 h, respectively. These results suggest that the species studied presented a good potential for the development of a new agent for vector control of mosquitoes of these genres. However, further studies are required to confirm its actions, toxicity and potential topical use.
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Keywords: Chikungunya Fever; Dengue; Larvicidal Activity and Predictions In Silico; Malaria; Zika

Document Type: Research Article

Affiliations: 1: Pós-Graduação em Ciências da Saúde, Universidade Federal do Amapá, Rod. JK, Km02, s/n, 68902280, Macapá-AP, Brazil 2: Laboratório de Modelagem e Química Computacional, Universidade Federal do Amapá, Rod. JK, Km02, S/N, 68902280, Macapá-AP, Brazil 3: Laboratório de Arthropoda, Universidade Federal do Amapá, Rod. JK, Km02, s/n, 68902280, Macapá-AP, Brazil

Publication date: July 1, 2017

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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