Results 81 to 90 of about 75,103 (257)

Synthesis and biological evaluation of novel (E)-N'-benzylidene hydrazides as novel c-Met inhibitors through fragment based virtual screening

Journal of Enzyme Inhibition and Medicinal Chemistry, 2020
C-Met plays a crucial role in the development and progression of neoplastic disease. Type II c-Met inhibitors recognise the inactive DFG-out conformation of the kinase, result in better anti-tumour effects due to synergistic effect against the other ...
Jing-wei Liang, Shi-long Li, Shan Wang, Wan-qiu Li, Fan-hao Meng   +4 more
doaj   +1 more source

Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms

ChemistryOpen, EarlyView.
This study employed density functional theory (DFT) and conceptual DFT (CDFT) to calculate the structures and properties of potential antibacterial compounds derived from 16‐membered lactone ring‐containing secondary metabolites of extremophiles, as well as midecamycin.
Dilong Li, Yanni Wang, Yinhuan Huang, Hui Zhou, Xiaoyun Xia, Wei Huang, Chaojie Wang   +6 more
wiley   +1 more source

Paediatric developmental safety and the ICH E11A extrapolation of safety

British Journal of Clinical Pharmacology, EarlyView.
Gilbert J. Burckart, Susan M. Abdel‐Rahman, Gelareh Abulwerdi, Rebecca Racz, Sherbet Samuels, Dionna J. Green, Lynne P. Yao   +6 more
wiley   +1 more source

Cyanoacetamidobetaine—A Zwitterionic Nitrile Derivative

ChemistryOpen, EarlyView.
The reaction of sodium dicyanamide with betainium chloride in aqueous solution affords N‐cyano‐2‐(trimethylammonio)acetaminide (cyanoacetamidobetaine). Single crystal X‐ray diffraction reveals a monoclinic structure comprising a trimethylammonium head group connected to a cyanoacetaminide unit via a methylene bridge.
Pan Duan, Julia‐Maria Hübner, Florian Puls, Vitaliy Romaka, Hans‐Joachim Knölker, Michael Ruck   +5 more
wiley   +1 more source

Quantitative Structure–Activity Relationship (QSAR) Study Predicts Small-Molecule Binding to RNA Structure

, 2022
Zhengguo Cai, Martina Zafferani, Olanrewaju M. Akande, Amanda E. Hargrove   +3 more
openalex   +2 more sources

In Silico Analysis for Exploring the Potential Inhibitors Against Breast Cancer (MCF7) Using Curcumin Analogue Compounds

Jurnal Kimia Sains dan Aplikasi
Breast cancer is one of the most problematic diseases in the world. Currently, there are no potential vaccines for the treatment of this disease. Therefore, finding effective compounds, such as curcumin analogs, is crucial to inhibit breast cancer. Forty-
Neni Frimayanti, Adel Zamri, Yum Eryanti
doaj   +1 more source

Peptidic product derived from trypsin autolysis modulates insect digestive proteases and supports plant biochemical defense

Pest Management Science, EarlyView.
XXXX Abstract BACKGROUND Spodoptera frugiperda, commonly known as the fall armyworm, is a highly economically significant pest that affects various crops, resulting in substantial losses in productivity. Managing this pest primarily relies on chemical insecticides; however, the repeated development of resistance to these chemicals has rendered them ...
Daniel Guimarães Silva Paulo, Halina Schultz, Yaremis Beatriz Meriño Cabrera, Ian Lucas Batista Santos, Maria Clara Neves Gomes Rodrigues, Milena Godoi Lima, Geisiane Aparecida Mariano, Rafael Junior de Andrade, Humberto Josué de Oliveira Ramos, Maria Goreti de Almeida Oliveira   +9 more
wiley   +1 more source

A Comprehensive Review of Adsorbents for Rare Earth Separation: Design, Synthesis, Adsorption Performance, and Mechanisms

Rare Metals, EarlyView.
ABSTRACT Rare earth elements (REEs) play an irreplaceable role in modern technology and industry. However, due to the highly similar physicochemical properties among REEs, their separation remains a significant challenge. Additionally, REEs often exist in low‐concentration solutions, making efficient REE recovery an urgent task.
Miao‐Miao Huang, Jun Tan, Liu‐Yin Xia, Kai Han, Hong‐Yan Cai, Xin Ma, Shuai Wang   +6 more
wiley   +1 more source

Band Edge Reorganization via Symmetry Constraints in Covalent Bonding Heterojunctions Boosts Photocatalytic Metronidazole Degradation

Rare Metals, EarlyView.
ABSTRACT The covalent bonds at heterojunction interfaces enable more efficient charge carrier separation than traditional weakly coupled heterojunctions, with enhanced photocatalytic performance for organic wastewater purification. The interfacial covalent bonds drive energy band reorganization, rendering the conventional independent band edge ...
Jing‐Yu Ren, Ying Hua, Xin‐Yi Yang, Shuai Wang, Zhi‐Rui Niu, Yan‐Zhong Zhen   +5 more
wiley   +1 more source

QSAR modeling of nanomaterials

WIREs Nanomedicine and Nanobiotechnology, 2011
AbstractA thorough understanding of the relationships between the physicochemical properties and the behavior of nanomaterials in biological systems is mandatory for designing safe and efficacious nanomedicines. Quantitative structure‐activity relationship (QSAR) methods help to establish such relationships, although their application to model the ...
BURELLO ENRICO, WORTH Andrew
openaire   +3 more sources