30 documents found, page 1 of 3
Synthesis, Spectroscopic Characterization, DFT Calculations and Preliminary Ant...
Souza Jr.,Joselito S.; Martins,Evandro P. S.; Souza,Helivaldo D. S.; Oliveira,Rafael F. de; Alves,Francinara S.; Lima,Edeltrudes O.; Cordeiro,Laísa V.Four new piperine derivatives, PC1-PC4, were synthesized, and their structures were fully characterized by infrared (IR) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopies. Quantum chemical calculations were performed using density functional theory (DFT) with the B3LYP-D3/6-31G(d,p) and 6-311+G(2d,p) basis sets. Electronic properties, such as the energy gap between the highest occupied molecular or...
Synthesis, in silico Study and Antileishmanial Evaluation of New Selenides Deri...
Huang,Min-Fu N.; Luis,José A. S.; Silva,Alison P. da; Rocha,Juliana C.; Lima,Tatjana K. S.; Scotti,Marcus T.; Scotti,Luciana; Oliveira,Rafael F. deThis study describes a virtual screening performed for two series of selenides (28 compounds), derived from N-phenylacetamides chlorides and 7-chloro-quinoline, to determine their potential for leishmanicidal activity against Leishmania amazonensis and Leishmania donovani. Seven compounds were predicted as potential leishmanicides; therefore, they were synthesized from elemental selenium, as a precursor for the...
Synthesis, in silico Study and Antimicrobial Evaluation of New Diesters Derived...
Oliveira,Rafael F. de; Souza,Helivaldo D. S.; Alves,Francinara S.; Sousa,Abraão P. de; Lima,Priscila S. V. de; Huang,Min-Fu N.; Cordeiro,Laísa V.New diesters derived from phthaloylglycine (7a-7i) were synthesized and their structures characterized by infrared, 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. The compounds were evaluated in an in silico study, which demonstrated positive features indicating a possible drug candidate. The diesters showed antifungal activity ranging from moderate to strong against strains of Candida. Compounds 7a,...
New Diesters Derived from Piperine: in silico Study and Evaluation of Their Ant...
Trindade,Emmely O.; Souza,Helivaldo D. S.; Brandão,Maria Cláudia R.; Neto,Hermes D.; Lima,Edeltrudes O.; Lira,Bruno F.; Athayde-Filho,Petrônio F. dePiperine, previously extracted from black pepper (Piper nigrum L.), was used as a precursor for the synthesis of twelve new diester derivatives. The final products were obtained through the bimolecular nucleophilic substitution reaction (SN2) of the alkyl 2-chloroacetates and the salt of piperic acid, obtained from the basic hydrolysis of piperine. The compounds were synthesized with yields of 55-84% and charac...
Synthesis, in silico Study, Theoretical Stereochemistry Elucidation and Antifun...
Vilela,Raquel F.; Costa,Normando A. S.; Souza,Helivaldo D. S.; Cruz,Luiz E. G.; Assis,Kelyonara M. S. de; Lima,Edeltrudes O.; Cordeiro,Laísa V.Ten imides derived from safrole, 4a-4j, were synthesized and their structures were fully characterized by infrared (IR) spectroscopy, 1H and 13C nuclear magnetic resonance (NMR) spectroscopy and high resolution mass spectrometry (HRMS) analysis. Among the ten imides studied, eight are new. The compounds were evaluated in an in silico study and showed strong to moderate antifungal activity against various strain...
Synthesis, in silico Study and Antimicrobial Activity of New Piperine Derivativ...
Trindade,Emmely O.; Dutra,Thalisson F.; Brandão,Maria C. R.; Diniz Neto,Hermes; Lima,Edeltrudes O.; Lira,Bruno F.; Athayde-Filho,Petrônio F. deA series of fifteen new piperine-derived diesters was synthesized through the substitution reaction between the salt of piperic acid, obtained through piperine basic hydrolysis, with the δ-chloro-esters, obtained through the cleavage of tetrahydrofuran (THF) with acyl chlorides in the presence of ZnCl2. The final compounds were obtained with yields ranging from 50 to 84% and were characterized by infrared (IR) ...
Warifteine, an alkaloid of Cissampelos sympodialis, modulates allergic profile ...
Vieira,Giciane C.; Gadelha,Francisco A.A.F.; Pereira,Raquel F.; Ferreira,Laércia K.D.P.; Barbosa-Filho,José M.; Bozza,Patricia T.; Piuvezam,Marcia R.ABSTRACT Cissampelos sympodialis Eichler, Menispermaceae, a Brazilian medicinal plant and its alkaloid warifteine present immunomodulatory activity on asthma experimental model by reducing antigen-specific IgE levels, eosinophil infiltration and lung hyperactivity. Allergic rhinitis is a chronic inflammatory disorder of the nasal tissue that affect the quality of life and it is a risk factor for asthma exacerba...
A new coumarin derivative, 4-acetatecoumarin, with antifungal activity and asso...
Guerra,Felipe Q.S.; Araújo,Rodrigo S.A.; Sousa,Janiere P.; Silva,Viviane A.; Pereira,Fillipe O.; Mendonça-Junior,Francisco J.B.; Barbosa-Filho,José M.Abstract Fungal infections have become a concern for health professionals, and the emergence of resistant strains has been reported for all known classes of antifungal drugs. Among the fungi causing disease, we highlight those that belong to the genus Aspergillus. For these reasons, the search for new antifungals is important. This study examines the effects of a coumarin derivative, 4-acetatecoumarin (Cou-UMB1...
Antispasmodic activity from Serjania caracasana fractions and their safety
Silva,Fabiana L.; Silva,Joelmir L.V. da; Silva,Juciléia M.; Marcolin,Luiza S.A.; Nouailhetas,Viviane L.A.; Yoshida,Massayoshi; Vendramini,Pedro H.Abstract In a previous study, we reported the antispasmodic and gastroprotective effects of the Serjania caracasana (Jacq.) Willd., Sapindaceae, extract. In the present study, we evaluated the LD50, hemolytic and antispasmodic activities of its fractions and characterized its major constituents by isolation and GC–MS. The animals showed non-toxic symptoms with oral doses up to 2000 mg/kg, suggesting a safe oral...
Synthesis and Antifungal Activity Against Candida Strains of Mesoionic System D...
Peixoto,Isabelle N.; Souza,Helivaldo D. S.; Lira,Bruno F.; Silva,Daniele F.; Lima,Edeltrudes O.; Barbosa-Filho,José M.; Athayde-Filho,Petrônio F. deA series of ten new compounds have been synthetized in satisfactory yields (85-95%) through the treatment of isopropyl mesoionic 1,3-thiazolium-5-thiolate with 2-chloro-N-arylacetamides and characterized by elemental analysis, infrared (IR), 1H and 13C nuclear magnetic resonance (NMR) spectroscopies. The newly synthesized compounds were evaluated as new drug candidates in in silico study and for their antifunga...