Search results for "Design synthesis"
showing 10 items of 11 documents
A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies
2019
In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-Candida activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of Candida spp. The anti-Candida activity assay revealed that some of the new compounds are as active as fluconazole against most of the tested strains. A molecular docking study was conducted in order to evaluate the …
Design Synthesis and Biological/Biophysical Evaluation of New Oligopyrrole Carboxamides, Biscarbazoles, Oxocarbazoles and Benzo[a]carbazoles: Antitum…
2006
<strong>In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues</strong>
2018
In a recent article was described in silico repositioning, design, synthesis, biological evaluation and structure-activity relationship (SAR) of an original class of anti-inflammatory agents based on a polyaromatic pharmacophore structurally related to bisacodyl (BSL) drug used in therapeutic as laxative.
New Cathepsin Inhibitors to Explore the Fluorophilic Properties of the S 2 Pocket of Cathepsin B: Design, Synthesis, and Biological Evaluation
2011
5 páginas, 1 figura, 2 tablas -- PAGS nros. 5256-5260
Knowledge formalization and recommendation in computational design synthesis for 4D printing
2022
Coined in 2013, 4D printing is considered as a promising technology that combines additive manufacturing (AM) processes and smart materials (SMs). Through this technology objects can change over time in terms of functionalities, shape, or properties under the effect of energy stimulation. Although AM processes allow shape, hierarchical, functional, and materials complexities to the 3D objects, the conjunction with SMs provides much more freedom in designing adaptive/transformative structures. Over the last decade, a growing body of research with ad hoc proofs-of-concept have been proposed at the physical level (i.e., by using different AM processes with commercial or customized 3D printers …
Cover Picture: Design, Synthesis, and Miniemulsion Polymerization of New Phosphonate Surfmers and Application Studies of the Resulting Nanoparticles …
2012
ω-Alkenylallylboronates: Design, Synthesis, and Application to the Asymmetric Allylation/RCM Tandem Sequence
2021
P. B. thanks the Spanish MINECO for a Ramón y Cajal contract (RyC-2016-20951). M.N.G. thanks the University of Bath for financial support.
Design, synthesis, biological evaluation and molecular modelling of substituted pyrrolo[2,1-a]isoquinolinone derivatives: discovery of potent inhibit…
2021
We report here the design, synthesis and biological evaluation of a new series of substituted pyrrolo[2,1-a]isoquinolin-3-one derivatives, some of which have strong inhibitory activity against both AChE and BChE enzymes. The design of these new inhibitors was carried out taking rivastigmine as the starting structure. Thus, on the basis of an exhausting molecular modeling study using combined techniques (docking, dynamic molecular simulations and QTAIM calculations), we obtained new ligands possessing stronger inhibitory effects than rivastigmine, the reference compound. QTAIM analysis gave us detailed information about the molecular interactions stabilizing the different ligand–enzyme compl…
Design, synthesis and antiproliferative activity of methyl 4-Iodo-1-β-D-ribofuranosyl-pyrazole-3-carboxylate and related compounds
1996
Abstract In a SAR study on azole-related nucleosides we have designed some pyrazole-nucleoside analogs characterised, for the first time, by a carboxylic ester moiety. 4-Iodo-1-β-D-ribofuranosyl-pyrazole-3-carboxylate showed a wide spectrum of antiproliferative activity and a particularly low cytotoxicity against resting PBL, being, unlike the other azole nucleosides, more active than the corresponding primary amide.