8 documents found, page 1 of 1
2D chemometric studies of a series of azole derivatives active against fluconaz...
Freitas,Humberto F.; Barros,Tania F.; Castilho,Marcelo S.Despite advances in the development of antifungal drugs, there has been an upsurge of cryptococosis infections that poorly respond to fluconazole (first choice drug). Hence, it is paramount to investigate the chemical properties of azole derivatives that are active against resistant C. neoformans. In order to achieve this goal, the susceptibility profile of a clinical isolate of resistant C. neoformans against ...
Hologram- and descriptor-based QSAR studies for a series of non-azoles derivati...
Cunha,Lara B.; Freitas,Humberto F.; Castilho,Marcelo S.Over the last decades fungal infections have become an increasing health problem, especially for immunocompromised patients. Unfortunately, the gold standard prophylactic therapy for such ailment is based on azole derivatives, which are fungistatic rather than fungicidal against C. neoformans and cause hepatotoxicity. Aiming at circumvent these problems, non-azole CYP51 inhibitors were designed. Herein a compre...
Estudos de QSAR 2D baseados em descritores topológicos e fragmentos moleculares...
Andrade,Jônathas G.; Freitas,Humberto F.; Castilho,Marcelo S.Azole derivatives are the main therapeutical resource against Candida albicans infection in immunocompromised patients. Nevertheless, the widespread use of azoles has led to reduced effectiveness and selection of resistant strains. In order to guide the development of novel antifungal drugs, 2D-QSAR models based on topological descriptors or molecular fragments were developed for a dataset of 74 molecules. The ...
In vitro screening and chemometrics analysis on a series of azole derivatives w...
Mota,Sabrina G. R.; Barros,Tânia F.; Castilho,Marcelo S.Moniliophthora perniciosa, the causal agent of witches' broom disease in Theobroma cacao, significantly decreased cacao production, especially in Bahia State, the largest cocoa producing of the American continent. Control programs developed so far have low efficiency. Azole derivatives are active both in vitro and in loco against M. perniciosa, however there is no comprehensive study on the activity of azoles a...
Screening of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogen...
Leite,Ana C.; Ambrozin,Alessandra R. P.; Castilho,Marcelo S.; Vieira,Paulo C.; Fernandes,João B.; Oliva,Glaucius; Silva,Maria Fátima das G. F. daThe inhibitory activity of crude extracts of Meliaceae and Rutaceae plants on glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH) enzyme from Trypanosoma cruzi was evaluated at 100 μg/mL. Forty-six extracts were tested and fifteen of them showed significant inhibitory activity (IA % > 50). The majority of the assayed extracts of Meliaceae plants (Cedrela fissilis, Cipadessa fruticosa and Trichilia rama...
2D QSAR studies on a series of bifonazole derivatives with antifungal activity
Mota,Sabrina G. R.; Barros,Tânia F.; Castilho,Marcelo S.Candida albicans (CA) has been identified as the major opportunistic pathogen in immunosuppressed patients. Most of currently available drugs are either highly toxic or becoming ineffective against resistant strains. An approach to overcome this burden relies on azole derivatives with increased potency and selectivity. Aiming at shedding some light on structural and chemical features that are important for the ...
Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
Freitas,Humberto F.; Paz,Odailson S.; Castilho,Marcelo S.Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high pred...
Preparation and evaluation of a coumarin library towards the inhibitory activit...
Alvim Jr.,Joel; Dias,Ricardo L. A.; Castilho,Marcelo S.; Oliva,Glaucius; Corrêa,Arlene G.Chagas' disease, caused by Trypanosoma cruzi, is endemic in 15 countries in Latin America. In this work a library of 38 coumarins was prepared in solution phase and evaluated against T. cruzi glycolytic enzyme glyceraldehyde-3-phosphate-dehydrogenase (gGAPDH). The synthetic route was based on the Knoevenagel condensation of different 2-hydroxybenzaldehydes with Meldrum's acid or diethyl malonate, followed by O-...