Results 101 to 110 of about 3,269,112 (357)

The Cu(OTf)2 catalysed microwave assisted synthesis of a new scaffold, 7-aryl-7,8-dihydropyrido[4,3-c]pyridazin-5(6H)-one [PDF]

, 2014
The synthesis of novel 7-aryl-7,8-dihydropyrido[4,3-c]pyridazin-5(6H)-ones is described including a one-step Mannich-type reaction followed by intramolecular ring closure of ethyl 3-methylpyridazine-4- carboxylate and aldimines, catalysed by the Lewis ...
De Coen, Laurens, Jatczak, Martyna, Mangelinckx, Sven, Muylaert, Koen, Stevens, Christian, Van Hecke, Kristof   +5 more
core   +2 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

O-H...O, C-H...O and C-H...[pi]arene intermolecular interactions in (2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid and (2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid [PDF]

, 2000
In the first of the title compounds, (2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid, C₁₃H₁₅NO₃, prepared from L-norvaline, a hydrogen-bonded network is formed in the solid state through O-H...O=C, C-H...O=C and C-H...πarene intermolecular ...
Brady, Fiona, Gallagher, John F.
core   +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

Vinylphosphonium Salt-Mediated Reactions: A One-Pot Condensation Approach for the Highly cis-Selective Synthesis of N-Benzoylaziridines and the Green Synthesis of 1,4,2-Dioxazoles as Two Important Classes of Heterocyclic Compounds.

Organic Letters, 2018
An efficient, one-pot, and convenient approach for the reaction of the same precursors, trialkyl(aryl) phosphines, acetylene diesters, and benzhydroxamic acids has been developed to produce two important classes of heterocyclic compounds: N ...
H. Aghahosseini, A. Ramazani, Nastaran Safarvand Jalayer, Zahra Ranjdoost, A. Souldozi, K. Ślepokura, T. Lis   +6 more
semanticscholar   +1 more source

Variation in the Biomolecular Interactions of Nickel(Ii) Hydrazone Complexes Upon Tuning the Hydrazide Fragment [PDF]

, 2012
Three new bivalent nickel hydrazone complexes have been synthesised from the reactions of [NiCl2(PPh3)(2)] with H2L {L = dianion of the hydrazones derived from the condensation of o-hydroxynaphthaldehyde with furoic acid hydrazide (H2L1) (1)/thiophene-2 ...
Bhuvanesh, Nattamai S. P., Butorac, Rachel R., Cowley, Alan H., Dharmaraj, Nallasamy, Krishnamoorthy, Paramasivam, Sathyadevi, Palanissamy   +5 more
core   +1 more source

HSP70 Interactome‐Mediated Proteolysis Targeting Chimera (HSP70‐PROTAC) for Ferroptosis‐Driven Cancer Treatment

Advanced Science, EarlyView.
This study reports a novel targeted protein degradation strategy termed “HSP70‐PROTAC” that recruits Hsc70 complex to a target protein for inducing degradation. Among them, GDAz‐3 exhibits effective GPX4 degradation activity via UPS/CMA processes, triggering ferroptosis‐driven anticancer activity in vitro and in vivo.
Jinyun Dong, Yulong Li, Hui Liang, Zumei Wu, Shiqun Wang, Yichao Wang, Jieyu Xu, Yanning Lan, Maohua Cai, Guangzhao Pan, Haiyan Yang, Kai Miao, Zhe‐Sheng Chen, Fangfang Tao, Xuelei Ma, Jiang‐Jiang Qin   +15 more
wiley   +1 more source

Colorimetric pH-sensitive hydrogel film based on kappa-carrageenan containing quercetin or eucalyptus leaf extract for freshness monitoring of chicken meat

Food Chemistry: X
In this study, we created new pH-sensitive hydrogel films using κ-carrageenan (CG) and either quercetin (QUE) or eucalyptus leaf extract (ELE) to monitor the spoilage of chicken meat.
Akbar Mirzaei, Yashar Bina Jorshari, Shahrzad Jananshir, Milad Noori, Mohammad Mahdavi   +4 more
doaj   +1 more source

Post-Ugi Cyclization for the Construction of Diverse Heterocyclic Compounds: Recent Updates

Frontiers in Chemistry, 2018
Multicomponent reactions (MCRs) have proved as a valuable tool for organic and medicinal chemist because of their ability to introduce a large degree of chemical diversity in the product in a single step and with high atom economy.
Jitender Bariwal, R. Kaur, L. Voskressensky, E. V. Van der Eycken   +3 more
semanticscholar   +1 more source

High-Pressure Synthesis of a Pentazolate Salt

, 2016
The pentazolates, the last all-nitrogen members of the azole series, have been notoriously elusive for the last hundred years despite enormous efforts to make these compounds in either gas or condensed phases.
Crowhurst, Jonathan C., Oleynik, Ivan I., Prakapenka, Vitali B., Stavrou, Elissaios, Steele, Brad A., Zaug, Joseph M.   +5 more
core   +4 more sources