1,721,023 research outputs found
Metal-cinnamic acids interactions. Part III. Synthesis and study of copper(II) complexes of 3, 4- and 3, 5-dimenthoxycinnamic acid
No full textCopper(II) complexes derived from substituted cinnamic acids 3, 4-dimethoxycinnamic acid (3, 4-DMCH) and 3, 5-dimethoxycinnamic acid (3, 5-DMCH), of the formula [Cu(3, 4-DMC)2]·H2O (1), [Cu(3, 5-DMC)2]·H2O (2) were prepared. The magnetic properties of the complexes suggest dimeric structures typical of copper(II) acetate monohydrate-like complexes. X-band e.s.r. spectra of polycrystalline samples at low temperature are typical of triplet state systems S=1. Their ability to catalyze the aerial oxidation of 3, 5-di-t-butylcatechol was measured spectrophotometrically at 30°C. The complexes are models for oxidases. © 1988 Chapman and Hall Ltd
Metal complexes of phytohormones. Part II: copper(II) complexes of 6-benzylaminopurine
No full textCopper(II) complexes with 6-benzylaminopurine (BAPH) of the types Cu(BAPH)2(ClO4)2•2H2O (1) Cu(BAP)2•4H2O (2), and Cu(BAPH2)Cl3•MeOH (3), have been synthesized and characterized by conductivity, magnetic measurements, i.r., electronic and e.s.r. spectroscopy
Structure-based drug design e sintesi di nuovi bioisosteri eterociclici della funzione beta-diketoacida come inibitori dell'enzima HIV-1 integrasi
Full text linkIn questo lavoro, seguendo l’approccio della bioisosteria non classica, la porzione β-diketonica I è stata
incorporata nei nuclei ossazolico III e pirazolico IV e sono stati disegnati gli acidi indolil-3-ossazolici 4ac
e indolil-3-pirazolici 5a-c.
Inoltre la funzione β-diketoacida II, sostituita con un nucleo 3-idrossi-pirrolo-2,5-dionico V, contemplato
in letteratura come bioisostero di tale struttura, ha portato ai derivati 6a-c.
Le molecole progettate sono state sottoposte ad uno studio didockingal fine di di valutare
preliminarmente l’attività inibitoria tramite la costante di inibizioneKiin accordo con il razionale
Structure-based drug design
Strategie di sintesi per la preparazione di bifenili ossidrilati chirali non racemi di interesse agrobiologico
Full text linkL’attività di ricerca del gruppo è rivolta alla sintesi di bifenili con interessanti caratteristiche
stereochimiche, ottenibili mediante metodi semplici e diretti al fine di un loro utilizzo nei sistemi
biologici ed in agricoltura
Analysis of the interaction of trichodiene synthase 5 (TRI5) with natural and natural-like inhibitors of trichothecene biosynthesis
No full textThe fungal pathogen Fusarium culmorum causes Fusarium head blight (FHB) on cereals, resulting in yield loss and contamination of grain with type B trichothecene mycotoxins. A key step in the synthesis of trichothecenes is catalyzed by the trichodiene synthase 5 (TRI5) that converts farnesyl pyrophosphate to trichodiene. Ferulic acid proved an efficient inhibitor of type B trichothecene biosynthesis and TRI5 gene expression in Fusarium liquid cultures. In this work several natural and natural-like compounds belonging to phenol and hydroxylated biphenyl structural classes were tested in vitro to determine their inhibitory activity towards TRI5. The recombinant TRI5 was expressed in E. coli, and the interaction with different inhibitors was analyzed by Surface Plasmon Resonance (SPR). The screening of inhibitors was performed in both direct and competitive binding format to determine which inhibitors could compete with the binding of farnesyl pyrophosphate to the enzyme active site. A combination of inhibition kinetics and computational modeling of interacting-structures may facilitate the testing of novel potential TRI5 inhibitors and the prediction of their inhibitory mechanism
Preparazione di bifenili conformazionalmente flessibili con interessanti funzionalità e caratteristiche stereochimiche
Full text linkL’interesse nella struttura bifenilica ossidrilata sia in catalisi che nella sintesi di molecole bioattive,
ha incrementato lo studio di strategie di sintesi per la preparazione di bifenoli chirali non racemi1.
Sebbene la presenza di sostituenti in posizione orto esercitino un ruolo fondamentale ai fini della
rigidità conformazionale del bifenile e quindi della stabilità configurazionale (chiralità assiale), è
possibile preparare bifenili configurazionalmente stabili anche se le sostituzioni sono ristrette alle
posizioni 2,2’ e alle posizioni 5,5’, posizioni molto reattive alla sostituzione elettrofila, purchè
queste ultime sostituzioni impartiscano rigidità conformazionale alla struttura
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Design, synthesis, molecular modeling and anti-HIV 1 integrase activity of a series of photoactivable diketo acid-containing inhibitors as affinity probes
Full text linkPhotoaffinity Labelling (PL) is a powerful method in the chemical proteomic approach of protein
functions. This method is especially useful for the identification of ligand-binding sites of
target proteins and for the investigation of ligand–receptor interactions. The use of affinity-labeled
inhibitors to covalently modify the site of interaction and subsequent analysis of the protein have
been very effective in providing useful informations about inhibitor binding for a multitude of
therapeutic target proteins. Therefore, it could reasonably be applied in drug discovery and
development processes.
For example, such approach can be used to obtain structural information detailing the association
between the enzyme HIV-1 integrase (IN) and inhibitors under development
Docking ligando-DNA e validazione della capacità intercalante di nuovi derivati "two-armed"
Full text linkIn questo contesto è risultato di grande interesse cercare di studiare la capacità intercalante
e le modalità di binding di noti ligandi (Actinomicina D, Etidio bromuro, Distamicina)
attraverso uno studio computazionale con tecniche di docking che potesse risultare di utile
supporto nella ricerca di nuovi agenti intercalanti. E’ stato quindi messo a punto un
versatile metodo di docking tramite l’utilizzo del programma AutoDock operando in
diverse condizioni sperimentali
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