Novel AIEgens with a 3,5-dibromobenzaldehyde skeleton: molecular design, synthesis, tunable emission and detection application

2018 ◽  
Vol 10 (46) ◽  
pp. 5486-5492 ◽  
Author(s):  
Yunsuo Kuang ◽  
Linfeng Chen ◽  
Xike Tian ◽  
Yong Li ◽  
Liqiang Lu ◽  
...  
Keyword(s):  
Active Compound ◽  
Molecular Design ◽  
Design Synthesis ◽  
Aggregation Induced Emission ◽  
New Strategy ◽  
Tunable Emission

In this study, three novel fluorophores with aggregation-induced emission effects (AIE) have been synthesized by a new strategy that uses the non-AIE active compound 3,5-dibromobenzaldehyde (DBB) as a core (stator).

Development of Novel Glitazones as Antidiabetic Agents: Molecular Design, Synthesis, Evaluation of Glucose Uptake Activity and SAR Studies

2020 ◽  
Vol 17 (7) ◽  
pp. 840-849
Author(s):  
Mahendra Gowdru Srinivas ◽  
Prabitha Prabhakaran ◽  
Subhankar Probhat Mandal ◽  
Yuvaraj Sivamani ◽  
Pranesh Guddur ◽  
...  
Keyword(s):  
Glucose Uptake ◽  
Molecular Design ◽  
Docking Studies ◽  
Antidiabetic Activity ◽  
Design Synthesis ◽  
In Silico Docking ◽  
Ppar Γ ◽  
Sar Studies ◽  
Structure Activity ◽  
Uptake Activity

Background: Thiazolidinediones and its bioisostere, namely, rhodanines have become ubiquitous class of heterocyclic compounds in drug design and discovery. In the present study, as part of molecular design, a series of novel glitazones that are feasible to synthesize in our laboratory were subjected to docking studies against PPAR-γ receptor for their selection. Methods and Results: As part of the synthesis of selected twelve glitazones, the core moiety, pyridine incorporated rhodanine was synthesized via dithiocarbamate. Later, a series of glitazones were prepared via Knovenageal condensation. In silico docking studies were performed against PPARγ protein (2PRG). The titled compounds were investigated for their cytotoxic activity against 3T3-L1 cells to identify the cytotoxicity window of the glitazones. Further, within the cytotoxicity window, glitazones were screened for glucose uptake activity against L6 cells to assess their possible antidiabetic activity. Conclusion: Based on the glucose uptake results, structure activity relationships are drawn for the title compounds.

scholarly journals Molecular design of efficient yellow- to red-emissive alkynylgold(iii) complexes for the realization of thermally activated delayed fluorescence (TADF) and their applications in solution-processed organic light-emitting devices

2021 ◽  
Author(s):  
Cathay Chai Au-Yeung ◽  
Lok-Kwan Li ◽  
Man-Chung Tang ◽  
Shiu-Lun Lai ◽  
Wai-Lung Cheung ◽  
...  
Keyword(s):  
Molecular Design ◽  
Delayed Fluorescence ◽  
Solution Processed ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Light Emitting Devices ◽  
Thermally Activated ◽  
New Class ◽  
Organic Light ◽  
Tunable Emission

We report the design of a new class of fused heterocyclic alkynyl ligand-containing gold(iii) complexes, which shows tunable emission colors spanning yellow to red region and exhibits thermally activated delayed fluorescence (TADF) properties.

scholarly journals Synthesis and Theoretical Investigation Using DFT of 2,3-Diphenylquinoxaline Derivatives for Electronic and Photovoltaic Effects

2021 ◽  
Author(s):  
Dorota Zając ◽  
Dariusz Przybylski ◽  
Jadwiga Sołoducho
Keyword(s):  
Solar Cells ◽  
Acrylic Acid ◽  
Organic Semiconductors ◽  
Organic Solar Cells ◽  
Molecular Design ◽  
Low Cost ◽  
Design Synthesis ◽  
Semiconducting Properties ◽  
Homo Lumo

AbstractDeveloping effective and low‐cost organic semiconductors is an opportunity for the development of organic solar cells (OPV). Herein, we report the molecular design, synthesis and characterization of two molecules with D–A–D–A configuration: 2-cyano-3-(5-(8-(3,4-ethylenodioxythiophen-5-yl)-2,3-diphenylquinoxalin-5-yl)thiophen-2-yl)acrylic acid (6) and 2-cyano-3-(5-(2,3-diphenyl-8-(thiophen-2-yl)quinoxalin-5-yl)thiophen-2-yl)acrylic acid (7). Moreover, we investigated the structural, theoretical and optical properties. The distribution of HOMO/LUMO orbitals and the values of the ionization potential indicate good semiconducting properties of the compounds and that they can be a bipolar material. Also, the optical study show good absorption in visible light (λabs 380–550 nm). We investigate the theoretical optoelectronic properties of obtained compounds as potential materials for solar cells.

Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity

2013 ◽  
Vol 23 (16) ◽  
pp. 4597-4601 ◽  
Author(s):  
Fabyana A. Soares ◽  
Renata Sesti-Costa ◽  
João Santana da Silva ◽  
Maria Cecília B.V. de Souza ◽  
Vitor F. Ferreira ◽  
...  
Keyword(s):  
Molecular Design ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
Trypanocidal Activity ◽  
Synthesis And Biological Evaluation

Naphthalimide–thiazoles as novel photonucleases: molecular design, synthesis, and evaluation

2004 ◽  
Vol 45 (6) ◽  
pp. 1247-1251 ◽  
Author(s):  
Yonggang Li ◽  
Yufang Xu ◽  
Xuhong Qian ◽  
Baoyuan Qu
Keyword(s):  
Molecular Design ◽  
Design Synthesis

scholarly journals In VitroInhibition ofHelicobacter pyloriGrowth by Redox Cycling Phenylaminojuglones

2018 ◽  
Vol 2018 ◽  
pp. 1-8 ◽  
Author(s):  
Julio Benites ◽  
Héctor Toledo ◽  
Felipe Salas ◽  
Angélica Guerrero ◽  
David Rios ◽  
...  
Keyword(s):  
Gastric Cancer ◽  
Helicobacter Pylori ◽  
Antibacterial Activity ◽  
Active Compound ◽  
Metabolic Pathways ◽  
Growth Inhibitor ◽  
Growth Inhibitors ◽  
Design Synthesis ◽  
H Pylori

Infection byHelicobacter pyloriincreases 10 times the risk of developing gastric cancer. Juglone, a natural occurring 1,4-naphthoquinone, preventsH. pylorigrowth by interfering with some of its critical metabolic pathways. Here, we report the design, synthesis, andin vitroevaluation of a series of juglone derivatives, namely, 2/3-phenylaminojuglones, as potentialH. pylorigrowth inhibitors. Results show that 5 out of 12 phenylaminojuglones (at 1.5 μg/mL) were 1.5–2.2-fold more active than juglone. Interestingly, most of the phenylaminojuglones (10 out of 12) were 1.1–2.8 fold more active than metronidazole, a knownH. pylorigrowth inhibitor. The most active compound, namely, 2-((3,4,5-trimethoxyphenyl)amino)-5-hydroxynaphthalene-1,4-dione 7, showed significant higher halo of growth inhibitions (HGI = 32.25 mm) to that of juglone and metronidazole (HGI = 14.50 and 11.67 mm). Structural activity relationships of the series suggest that the nature and location of the nitrogen substituents in the juglone scaffold, likely due in part to their redox potential, may influence the antibacterial activity of the series.

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