AIMC Topic: Molecular Structure
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Structures and antipathogenic fungi activities of flavonoids from pathogen-infected Astragalus adsurgens.
Natural product research
Dec 20, 2017
Healthy Astragalus adsurgens is a highly palatable forage widely cultivated in arid areas of north China, while pathogen- (Embellisia asttrgali ) infected A. adsurgens is poisonous forage and often causes disastrous livestock losses. A phytochemical ...
Two new bis-iridoids isolated from Scabiosa stellata and their antibacterial, antioxidant, anti-tyrosinase and cytotoxic activities.
Fitoterapia
Dec 19, 2017
This study presents the chemical profile investigation of a 70% ethanol extract obtained from Scabiosa stellata, a medicinal herbaceous traditionally used to treat heel cracks. A C NMR-based dereplication methodology was firstly applied on centrifuga...
Selenazolinium Salts as "Small Molecule Catalysts" with High Potency against ESKAPE Bacterial Pathogens.
Molecules (Basel, Switzerland)
Dec 8, 2017
In view of the pressing need to identify new antibacterial agents able to combat multidrug-resistant bacteria, we investigated a series of fused selenazolinium derivatives (-) regarding their in vitro antimicrobial activities against 25 ESKAPE-pathog...
4D Printed Actuators with Soft-Robotic Functions.
Macromolecular rapid communications
Dec 6, 2017
Soft matter elements undergoing programed, reversible shape change can contribute to fundamental advance in areas such as optics, medicine, microfluidics, and robotics. Crosslinked liquid crystalline polymers have demonstrated huge potential to imple...
In silico toxicity profiling of natural product compound libraries from African flora with anti-malarial and anti-HIV properties.
Computational biology and chemistry
Dec 6, 2017
This paper describes an analysis of the diversity and chemical toxicity assessment of three chemical libraries of compounds from African flora (the p-ANAPL, AfroMalariaDb, and Afro-HIV), respectively containing compounds exhibiting activities against...
Design, synthesis, antibacterial evaluation and molecular docking studies of some new quinoxaline derivatives targeting dihyropteroate synthase enzyme.
Bioorganic chemistry
Dec 5, 2017
Development of new antimicrobial agents is a good solution to overcome drug-resistance problems. From this perspective, new quinoxaline derivatives bearing various bioactive heterocyclic moieties (thiadiazoles, oxadiazoles, pyrazoles and thiazoles) w...
Gram-Positive Bacteria
Hydrogen Bonding
Dihydropteroate Synthase
Anti-Bacterial Agents
Yersinia pestis
Molecular Docking Simulation
Quinoxalines
Drug Design
Levofloxacin
Microbial Sensitivity Tests
Hydrophobic and Hydrophilic Interactions
Protein Binding
Catalytic Domain
Structure-Activity Relationship
Gram-Negative Bacteria
Molecular Structure
Development and validation of an LC-MS/MS method for quantification of NC-8 in rat plasma and its application to pharmacokinetic studies.
Journal of food and drug analysis
Nov 11, 2017
ent-16-Oxobeyeran-19-N-methylureido (NC-8) is a recently synthesized derivative of isosteviol that showed anti-hepatitis B virus (HBV) activity by disturbing replication and gene expression of the HBV and by inhibiting the host toll-like receptor 2/n...
Obituary: Toshio Fujita, QSAR pioneer.
Journal of computer-aided molecular design
Nov 8, 2017
This is the obituary for Toshio Fujita, pioneer of the quantitative structure activity relationship (QSAR) paradigm.
Novel cationic chitosan derivative bearing 1,2,3-triazolium and pyridinium: Synthesis, characterization, and antifungal property.
Carbohydrate polymers
Nov 7, 2017
In this paper, novel cationic chitosan derivative possessing 1,2,3-triazolium and pyridinium groups was synthesized conveniently via cuprous-catalyzed azide-alkyne cycloaddition (CuAAC) and methylation. FTIR, H NMR, and elemental analysis examined th...
Structural characterization and osteogenic bioactivity of a sulfated polysaccharide from pacific abalone (Haliotis discus hannai Ino).
Carbohydrate polymers
Nov 6, 2017
Bone morphogenic protein-2 (BMP-2) is known to promote osteogenesis. To find novel adjuvants to enhance the activity of BMP-2, the present study investigated the structure BMP-2-induced osteogenic activity of a water-soluble polysaccharide from the g...
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