Submitted by Luis Ricardo Andrade da Silva (lrasilva@uefs.br) on 2017-01-11T21:46:05Z No. of bitstreams: 1 Boneco 97-2003-corre??es.pdf: 20164603 bytes, checksum: 78fbb46841fee330fc6bc340e1af3756 (MD5) / Made available in DSpace on 2017-01-11T21:46:06Z (GMT). No. of bitstreams: 1 Boneco 97-2003-corre??es.pdf: 20164603 bytes, checksum: 78fbb46841fee330fc6bc340e1af3756 (MD5) Previous issue date: 2016-08-26 / Funda??o de Amparo ? Pesquisa do Estado da Bahia - FAPEB / Polygalaceae family species are traditionally used in many regions of the world and because of this, research is being conducted to evaluate the biological activities, as well as phytochemicals aspects of these plants. In this way, the present study was to carry out the proposed chemical characterization and evaluation of biological activity in vitro of the extract and prediction of new biological activities in silico of the substances identified in Asemeia ovata (Polyagalaceae). The chemical characterization was made through previous phytochemical screening tests and fingerprint by HPLC-DAD. The isolation and identification of compounds was performed by classical chromatography techniques, HPLC-DAD and 1H and 13C NMR. The evaluation of the antioxidant activity in vitro was taken by Scavenging of DPPH free radical method, acetylcholinesterase activity by adapting the method of Ellman and Artemia salina lethality. The prediction of activity was made by tools for in silico target fishing, followed by docking the DOCK 6.7 program and evaluation of interaction profiles by Protein-Ligand Interaction server profiler. The chemical characterization showed that the extracts are rich in flavonoids and phenolic acids. It was possible to identify and quantify using HPLC-DAD substances: rutin, luteolin-7-O-glucoside, caffeic acid, p-coumaric acid and trans-ferulic acid. Moreover, it was possible to isolate the rutin substance, poligalen and a possible new alkaloid. The ethyl acetate extract was superior in the evaluation of in vitro activity with EC50 = 5.46 mg/mL for antioxidant activity, and LC50 = 71.91 mg/mL A. salina lethality. Acetylcholinesterase activity did not yield significant results (AChEIs% <20%). Tools for in silico target fishing allowed, through the ChemProt 2.0 and DRAR- CPI-servers, to select the molecular targets carbonic anhydrase 12 and epidermal growth factor receptor for routine; for luteolin-7-O-glucoside targets cotransporter 2 sodium / glucose and CDC42-activated protein kinase 1; poligalen to the target protein tyrosine kinase JAK2; and for caffeic acid, p-coumaric acid and trans-ferulic the best targets were epidermal growth factor receptor and Ras-related C3 botulinum toxin substrate 1, carbonic anhydrase 12 and Ornithine carbamoyltransferase, mitochondrial. This work provides new results for the species, both from a chemical and biological point of view, there is good prospects of study with interesting potential to be discovered. / Esp?cies da fam?lia Polygalaceae s?o utilizadas tradicionalmente em muitas regi?es do mundo e, devido a isso, pesquisas est?o sendo realizadas para avaliar as atividades biol?gicas, como tamb?m os aspectos fitoqu?micos desses vegetais. Desta forma, o presente trabalho teve como proposta realizar a caracteriza??o qu?mica e avalia??o de atividades biol?gicas in vitro de extratos da planta inteira e predi??o in silico de novas atividades biol?gicas das subst?ncias identificadas de Asemeia ovata (Polyagalaceae). A caracteriza??o qu?mica foi feita atrav?s de testes de triagem fitoqu?mica pr?via e fingerprint por CLAE-DAD. O isolamento e identifica??o de subst?ncias foi realizado por t?cnicas de cromatografia cl?ssica, CLAE-DAD e RMN de 1H e 13C. A avalia??o da atividade antioxidante in vitro foi feita pelo m?todo de sequestro de radical livre DPPH, atividade anticolinester?sica pela adapta??o do m?todo de Ellman e letalidade frente Artemia salina. A predi??o de atividades in silico foi feita por m?todos de Triagem Virtual Inversa (TVI), seguido de reacoplamento pelo programa DOCK 6.7 e avalia??o dos perfis de intera??o pelo servidor Protein-Ligand Interaction Profiler. A caracteriza??o qu?mica mostrou que os extratos s?o ricos em ?cidos fen?licos e flavonoides. Foi poss?vel identificar e quantificar, atrav?s de CLAE-DAD, as subst?ncias: rutina, luteolina-7-O-glicos?deo, ?cido cafeico, ?cido p-cum?rico e ?cido trans-fer?lico. Al?m disso, foi poss?vel isolar as subst?ncias rutina, poligaleno e um poss?vel novo alcaloide. O extrato acetato de etila mostrou-se superior na avali??o das atividades in vitro, com CE50 = 5,46 mg/mL para atividade antioxidante, e CL50 = 71,91 ?g/mL para letalidade frente a A. salina. Para a atividade anticolinester?sica n?o obteve-se resultados significativos (%IAChE < 20%). A TVI permitiu selecionar, atrav?s dos servidores ChemProt 2.0 e DRAR-CPI, os alvos moleculares Anidrase carb?nica 12 e Receptor de fator de crescimento epid?rmico para a rutina; para a luteolina-7-O-glicos?deo os alvos Cotransportador 2 de s?dio/glicose e Prote?na quinase CDC42 ativada 1; para o poligaleno o alvo Prote?na tirosina quinase JAK2; e para os ?cidos cafeico, p-cum?rico e trans-fer?lico os melhores alvos foram Receptor de fator de crescimento epid?rmico e Ras-relacionada ao substrato C3 da Toxina botul?nica 1, Anidrase carb?nica 12 e Ornitina carbamoiltransferase, mitocondrial. Esse trabalho fornece resultados in?ditos para a esp?cie, tanto do ponto de vista qu?mico, como biol?gico, apresentando boas perspectivas de estudo, com interessante potencial a ser descoberto.