Results 71 to 80 of about 70,860 (329)

Dipiperazine‐Phenyl Derivatives Based on Convergent Molecular Platforms Can Reverse Multidrug Resistance in Gram‐Negative Bacteria by Inhibiting Efflux and Permeabilizing Cell Membranes

Advanced Science, EarlyView.
By integrating a convergent molecular platform strategy, this study designed a novel dual‐target C5 to combat multidrug‐resistant Gram‐negative bacteria. C5 synergistically enhances antibiotic efficacy by inhibiting efflux pumps and increasing bacterial membrane permeability.
Jiale Dong, Ting Guo, Yi Huang, Yangchun Ma, Weijin Chen, Jie Xue, Jun Jiang, Enhui Dong, Yue Kong, Hang Ding, Wenlong Zhang, Shutao Ma   +11 more
wiley   +1 more source

N-[(1Z)-Cyclodec-5-yn-1-ylidene]hydroxylamine

IUCrData
The crystal structure of cyclodecynone oxime, C10H15NO, is reported. Two twist-boat-shaped cycloalkynes are centrosymmetrically connected via oxime hydrogen bridges. Deformation of the alkyne unit results from ring strain.
Heiner Detert, Dieter Schollmeyer
doaj   +1 more source

Syn-Ethyl 1-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinolone-3-carboxylate HCl Salt

Molbank, 2015
This short note describes a one-step synthesis of the title compound from commercially available starting materials and reports its full spectroscopic characterization data.
Marcus Baumann, Ian R. Baxendale
doaj   +1 more source

A Second-Generation Janus Scorpionate Ligand: Controlling Coordination Modes in Iron(II) Complexes by Steric Modulation [PDF]

, 2008
The second-generation Janus scorpionate ligand [HB(mtdaMe)3−] containing methyl-mercaptothiadiazolyl (mtdaMe) heterocyclic rings and (N,N,N-) and (S,S,S-) binding pockets has been prepared. The effect of methyl substitution versus the unsubstituted first-
Gardinier, James R., Grandjean, Fernande, Gwengo, Chengeto, Lindeman, Sergey V., Long, Gary J., Silva, Rosalice M., Smith, Mark D.   +6 more
core   +1 more source

Structure elucidation of polyheptazine imide by electron diffraction — a templated 2D carbon nitride networkw [PDF]

, 2009
Structure elucidation of a condensed carbon IV) nitride with a stoichiometry close to C3N4 by electron diffraction reveals a two-dimensional planar heptazine-based network containing isolated melamine molecules in the trigonal ...
Döblinger, Markus, Lotsch, Bettina V., Schnick, Wolfgang, Senker, Jürgen, Thun, Jürgen, Wack, Julia   +5 more
core   +1 more source

Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies [PDF]

Organic Letters, 2015
A heterocycle-to-heterocycle strategy is presented for the preparation of highly fluorescent and solvatochromic dibenzonaphthyridinones (DBNs) via methodology that leads to the formation of a tertiary, spiro-fused carbon center. A linear correlation between the results of photophysical experiments and time dependent density functional theory ...
Palazzo, Teresa A, Patra, Digambara, Yang, Joung S, Khoury, Elsy El, Appleton, Mackenzie G, Haddadin, Makhluf J, Tantillo, Dean J, Kurth, Mark J   +7 more
openaire   +4 more sources

DualPG‐DTA: A Large Language Model‐Powered Graph Neural Network Framework for Enhanced Drug‐Target Affinity Prediction and Discovery of Novel CDK9 Inhibitors Exhibiting in Vivo Anti‐Leukemia Activity

Advanced Science, EarlyView.
This study introduces DualPG‐DTA, a framework integrating two pre‐trained models to generate molecular and protein representations. It constructs dual graphs processed by specialized neural networks with dynamic attention for feature fusion, achieving superior benchmark performance.
Yihao Chen, Jindi Huang, Cong Liu, Shipeng Zhang, Xinze Li, Zhang Zhang, Tie‐Gen Chen, Ling Wang   +7 more
wiley   +1 more source

Superelectrophilic carbocations: preparation and reactions of a substrate with six ionizable groups

Beilstein Journal of Organic Chemistry, 2019
A substrate has been prepared having two triarylmethanol centers and four pyridine-type substituent groups. Upon ionization in the Brønsted superacid CF3SO3H, the substrate undergoes two types of reactions.
Sean H. Kennedy, Makafui Gasonoo, Douglas A. Klumpp   +2 more
doaj   +1 more source

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

Advanced Science, EarlyView.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang, Yifan Wu, Hao Luo, Minglong Liang, Yihang Zhou, Cheng Chen, Chris Liu, Jun Zhang, Yang Zhang   +8 more
wiley   +1 more source

Recent advances in the electrochemical construction of heterocycles

Beilstein Journal of Organic Chemistry, 2014
Due to the fact that the major portion of pharmaceuticals and agrochemicals contains heterocyclic units and since the overall number of commercially used heterocyclic compounds is steadily growing, heterocyclic chemistry remains in the focus of the ...
Robert Francke
doaj   +1 more source