Browsing by Subject "Aceites esenciales"
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Publication Acoplamiento molecular in sillico de los componentes de aceites esenciales con las proteínas del virus del dengue(2013) Pájaro Castro, Nerlis; Olivero Vebel, Jesús; Stashenko, Elena E.Dengue virus (DENV) is an arboviral infectious agent, this currently has no specific treatment. The main objective of this work was to evaluate the in silico molecular docking of the major components of essential oils with anti-dengue reported with DENV proteins. For this purpose, proteins were downloaded from Protein Data Bank (PDB): C, prM, E, NS3, NS5 polymerase and NS5 methyltransferase. Components of essential oils, previously optimized, were coupled using AutoDock Vina with proteins prepared and optimized. Theoretical affinity values for the components of the essential oils on protein varied between -4.0 and -7.3 kcal/mol. The molecules α-copaene, β-bourbonene, germacrene D, spathulenol, β-caryophyllene, caryophyllene oxide and (+)-epi-bicyclosesquiphellandrene, all of nature sesquiterpene, were those that showed the greatest interaction with the proteins studied. The majority of the interactions between these molecules and proteins were DENV hydrophobic type. This study computational has permitted infer that all dengue virus proteins are potential targets for the concomitant docking of various compounds of essential oils.Publication Actividad del sistema catalítico FePcCl16-SiO2/TBHP en la oxidación alílica de limoneno(2013) Restrepo, Viviana; González Rodríguez, Lina María; Villa Holguín, Aída LuzPublication Análisis de fragancias florales por GC-MS(2013) Stashenko, Elena E.; Martínez Morales, Jairo RenéPublication Análisis de la composición química y actividad antioxidante en especies de Piper spp. (Fam. Piperaceae) recolectadas en zonas aledañas al departamento de Arauca - Colombia(2013) Valenzuela, Elisa E.; Tafurt García, Geovanna; Stashenko, Elena E.Publication Analysis of essential oils isolated by steam distillation from Swinglea glutinosa fruits and leaves(2015-04-21) Stashenko, Elena E.; Martínez Morales, Jairo René; Medina, José Domingo; Durán, Diego CamiloEssential oils obtained by steam distillation from Swinglea glutinosa (Blanco) Merr. fruit peel or leaves were analyzed by gas chromatography with flame ionization and mass spectrometry detection systems. A total of sixtyseven compounds were found, sixty-four of which were common to both oils, although present in different relative amounts. The main component of the essential oils obtained from S. glutinosa fruit peel or leaves was trans-nerolidol (19.1% and 28.4%, respectively). Sesquiterpene hydrocarbons (50%) and their oxygenated analogues (35%) were the most abundant compound types in the leaf oil. Monoterpene hydrocarbons (51%) were the principal compound family found in the oil obtained from fruit peels.Publication Anti-leishmanial evaluation of C2-aryl quinolines: Mechanistic insight on bioenergetics and sterol biosynthetic pathway of Leishmania braziliensis(2013-05-09) Bompart, Daznia; Núñez Durán, Jorge; Rodríguez, Daniel; Kouznetsov, Vladimir V.; Meléndez Gómez, Carlos M.; Sojo, Felipe; Arvelo, Francisco; Visbal, Gonzalo; Álvarez, Álvaro; Serrano Martín, Xenón; García Marchán, YaelA series of diverse simple C2-aryl quinolines was synthesized de novo via a straightforward synthesis based on the acid-catalyzed multicomponent imino Diels–Alder reactions. Seven selected quinolines were evaluated at different stages of Leishmania braziliensis parasite. Among them, the 6-ethyl-2-phenylquinoline 5f was able to inhibit the growth of promastigotes of this parasite without affecting the mammalian cells viability and decreasing the number of intracellular L. braziliensis amastigotes on BMDM macrophages. The mechanism of action studied for the selected compound consisted in: (1) alteration of parasite bioenergetics, by disrupting mitochondrial electrochemical potential and alkalinisation of acidocalcisomes, and (2) inhibition of ergosterol biosynthetic pathway in promastigote forms. These results validate the efficiency of quinoline molecules as leishmanicide compounds.Publication Aqueous SDS micelle-promoted acid-catalyzed domino ABB’ imino Diels-Alder reaction: a mild and efficient synthesis of privileged 2-methyltetrahydroquinoline(2013) Merchan Arenas, Diego Rolando; Martínez Bonilla, Carlos A.; Kouznetsov, Vladimir V.New green protocol for the efficient synthesis of pharmacologically relevant 4-amidyl-2-methyl-1,2,3,4-tetrahydroquinolines (THQs) through the domino type ABB’ imino Diels–Alder reaction in acidified water in the presence of sodium dodecyl sulphate (SDS) surfactant was developed for the first time. The influence of the SDS micelles and their different concentrations (5.0, 8.2 and 12.0 mM) on reactivity of the imino Diels–Alder reaction was studied. It was found that the best THQ yields (70–99%) are achieved above the critical micellar concentration (12 mM) using pH 1.0–2.5. This procedure resulted in a general and clean environmentally benign protocol to obtain the privileged diastereospecific cis 2,4-disubstituted THQ molecules of highest biological interest.Publication Calentamiento con microondas en la valorización de biomasa(2015) Arango, Jairo; Arias, Laura; Cardona, Natalia; Herrera, Antonio; Muñoz, Yenifer; González Rodríguez, Lina María; Velásquez, Ramón; Villa Holguín, Aída LuzPublication Cantharidin-Based Small Molecules as Potential Therapeutic Agents(2013) Puerto Galvis, Carlos Eduardo; Vargas Méndez, Leonor Yamile; Kouznetsov, Vladimir V.Chemical and pharmacological information on cantharidin-based small molecules was analyzed. The review summarizes new facts about blister beetles’ metabolites for the period 2006–2012. General synthetic approaches to cantharidin-based small molecules as well as their chemical transformations and biological activities related to cantharidin, norcantharidin, cantharidimide, and norcantharimide analogs, especially their inhibitory activity of phosphoprotein phosphatases in cancer treatment, were discussed in this mini review, which could help to design new small molecule modulators for other biological models.Publication Caracterización química y evaluación de la actividad antioxidante de extractos de flor de Jamaica (Hibiscus sabdariffa L.) obtenidos por diferentes técnicas de aislamiento(2014) Mejía Medina, Jesica Julieth; Stashenko, Elena E.Publication Chemical composition and bioactivity of Piper auritum and P. multiplinervium essential oils against the red flour beetle, Tribolium castaneum (Herbst)(2014) Caballero Gallardo, Karina; Olivero Vebel, Jesús; Pino Benítez, Nayive; Stashenko, Elena E.Stored grain insects have shown resistance to synthetic insecticides, fact that has promoted the use of vegetable species for integrated pest management. Piper auritum and P. multiplinervium are two plants from the Piperaceae family present in the department of Chocó, Colombia, one of the most important hot spots of biodiversity in the world. This study was conducted to determine the repellent activity and toxicity of essential oils (EOs) isolated from these plants against Tribolium castaneum, using the area preference and contact toxicity methods, respectively. P. auritum EO presented greater repellency than P. multiplinervium, the first showed 100% lethality at minimum tested exposure period (24 h) whereas the second reached 16% at 72 h. EOs were analyzed by gas chromatography-mass spectrometry. P. auritum major components were safrole (93.2%) and miristicine (4.3%), whereas for P. multiplinervium were β-elemene (9.0%), trans-β- caryophyllene (5.3%) and caryophyllene oxide (4.1%). It is speculated that the repellent effect of P. auritum may be related to its safrole content, a known repellent. These results evidenced Piper species could be used for development of repellents against T. castaneum.Publication Chemical Composition of Salvia aratocensis Extract obtained by Supercritical Fluid Extraction and its Antigenotoxicity against Ultraviolet Radiation-Induced DNA Damage(2015) Fuentes Lorenzo, Jorge Luis; Stashenko, Elena E.; Quintero Ruiz, NathaliaSalvia is a cosmopolitan and important genus, widely used in flavoring and traditional medicine for treatments of respiratory and gastrointestinal diseases. The present work evaluated the chemical composition of Salvia aratocensis extract obtained by supercritical CO2 extraction, as well as its DNA protective effect against ultraviolet radiation (UVR)-induced genotoxicity. S. aratocensis extract composition was determined by gas chromatography-mass spectrometry (GCMS). The antigenotoxic effect of S. aratocensis extract was assayed in co-incubation procedures using the SOS chromotest in Escherichia coli PQ37 cells. The major components of the plant extract were α-cadinol (31.8%), 1,10-epi-cubenol (12.9%), trans-β-caryophyllene (7.7%), -cadinene (6.6%), and squalene (6.5%). S. aratocensis extract protected bacterial cells against UVR-induced genotoxicity at doses between 0.063 and 1 mg/mL. The results were discussed in relation to the DNA protective potential of the S. aratocensis extract and its major constituents.Publication Chemical composition of the essential oil of Morina longifolia wall. Leaves(2013) Kumar, Arvind; Varsheney, Vinay K.; Rawat, Mohan Singh M.; Martínez Morales, Jairo René; Stashenko, Elena E.Essential oil from the leaves of Morina longifolia was isolated (yield 1.43%) using the hydro-distillation method and analysed for its chemical composition by capillary GC-FID and GC-MS. The oil showed the presence of 47 compounds representing 82.29 % area of total chromatogram. The oil was dominated by sesquiterpenes amounting to 53.02% with germacrene D (20.74%), α-cadinol (4.09%)l, and germacrene D-4-ol (3.73%) as major constituents. The composition and characteristics odor of the oil is indicative of its use in fragrance applications.Publication Chromatographic and mass spectrometric characterization of essential oils and extracts from Lippia (Verbenaceae) aromatic plants(2012-10-05) Stashenko, Elena E.; Martínez Morales, Jairo René; Cala, Mónica P.; Durán, Diego Camilo; Caballero, DeyaniraAnalytical methodologies based on GC and HPLC were developed for the separation and quantification of carnosic acid, ursolic acid, caffeic acid, p-coumaric acid, rosmarinic acid, apigenin, luteolin, quercetin, kaempferol, naringenin, and pinocembrin. These methods were used to characterize essential oils and extracts obtained by solvent (methanol) and by supercritical fluid (CO2) extraction from stems and leaves of Lippia (Verbenaceae family) aromatic plants (Lippia alba, Lippia origanoides, Lippia micromera, Lippia americana, Lippia graveolens, and Lippia citriodora). Supercritical CO2 extraction isolated solely pinocembrin and narigenin from three L. origanoides chemotypes. Solvent extracts possessed a more varied composition that additionally included apigenin, quercetin, and luteolin. Solvent extraction afforded higher overall flavonoid yields from all species in comparison with supercritical CO2 extraction. Pinocembrin was determined in L. origanoides extract at a concentration of 30 mg/g of plant material, which is more than ten times higher than the amount at which polyphenols are regularly found in aromatic plant extracts.Publication Comparación de la actividad catalítica del complejo FePcCl16 inmovilizado en SiO2 y SBA-15 en la cinética de producción de carvona por oxidación alílica de limoneno con peróxido de tert-butilo(2014) Montes Grajales, Diana Lucía; González Rodríguez, Lina María; Villa Holguín, Aída LuzPublication Construcción de modelos QSAR para calcular actividad repelente de terpenos frente a el mosquito Aedes aegypti(2013) Saavedra Reyes, Laura Marcela; Rozo Correa, Ciro EduardoPublication Diagramas de flujo preliminares para la oxidación de α-pineno y limoneno(2014) Becerra Chalá, Jaime AndrésPublication Diastereoselective Synthesis of Dihydroisoindolo[2,1‑a]quinolin-11- ones by Solvent-Free AMCell-SO3H‑Catalyzed Imino Diels−Alder/Intramolecular Amide Cyclization Cascade Reactions(2014-04-30) Merchan Arenas, Diego Rolando; Kouznetsov, Vladimir V.Nineteen bioactive highly functionalized 6,6a-dihydroisoindolo[2,1-a]quinolin-11(5H)-one derivatives were easily prepared in good yield without solvent using catalytic amorphous milled cellulose sulfonic acid (AMCell-SO3H), substituted anilines, propenyl-phenols, and phthaldehydic acid. The cascade reaction gave high regioselectivity and diastereoselectivity.Publication Discovery of antiviral molecules for dengue: in silico search and biological evaluation(2014) Cabarcas Montalvo, María; Maldonado Rojas, Wilson; Montes Grajales, Diana Lucía; Bertel Sevilla, Angela; Wagner Döbler, Irene; Sztajer, Helena; Reck, Michael; Flechas Alarcón, María Camila; Ocazionez, Raquel Elvira; Olivero Vebel, JesúsBackground: Dengue disease is a global disease that has no effective treatment. The dengue virus (DENV) NS2B/NS3 protease complex is a target for designing specific antivirals due to its importance in viral replication and its high degree of conservation. Methods: NS2B/NS3 protease complex structural information was employed to find small molecules that can inhibit the activity of the enzyme complex. This inhibitory activity was probed with in vitro assays using a fluorescent substrateand the complex NS2B/NS3 obtained by recombinant DNA techniques, for testing the activity against dengue virus replication, HepG2 cells infected with dengue virus serotype 2 were used. Results: A total of 210,903 small molecules from PubChem were docked in silico to the NS2B/NS3 structure (PDB: 2FOM) to find molecules that could inhibit this protein complex. Five of the best 500 leading compounds, according to their affinity values (-11.6 and -13.5 kcal/mol), were purchased. The inhibitory protease activity on the recombinant protein and antiviral assays was tested. Conclusions: Chemicals CID54681617, CID54692801 and CID54715399 were strong inhibitors of NS2B/NS3, with IC50 values (μM) and percentages of viral titer reductions of 19.9, 79.9%; 17.5, 69.8%; and 9.1, 73.9 %, respectively. Multivariate methods applied to the molecular descriptors showed two compounds that were structurally different from other DENV inhibitors. General significance: This discovery opens new possibilities for obtaining drug candidates against Dengue virus.