Results 131 to 140 of about 28,587,314 (277)

Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening. [PDF]

Chem Sci, 2022
Zhu D, Johannsen S, Masini T, Simonin C, Haupenthal J, Illarionov B, Andreas A, Awale M, Gierse RM, van der Laan T, van der Vlag R, Nasti R, Poizat M, Buhler E, Reiling N, Müller R, Fischer M, Reymond JL, Hirsch AKH.   +18 more
europepmc   +1 more source

Identification of mangiferin as a potential Glucokinase activator by structure-based virtual ligand screening

, 2017
The natural product mangiferin (compound 7) has been identified as a potential glucokinase activator by structure-based virtual ligand screening. It was proved by enzyme activation experiment and cell-based assays in vitro, with potency in micromolar ...
Zhimei Li, Qiuxia Min, Hua Li, Jiachun Chen, Weiguang Sun, Fei gao, Qian Zhang, Xinpei Cai, Luo-Sheng Wan   +8 more
core   +1 more source

A Comprehensive Review on Additive Manufacturing of Smart Components: Technologies, Applications, and Future Scope

Advanced Intelligent Systems, EarlyView.
How can additive manufacturing enable components that sense, adapt, heal, and power themselves? This review synthesizes recent advances in smart functionalities, manufacturing technologies, and intelligent design strategies, revealing a pathway toward fully integrated, autonomous, and multifunctional systems across diverse engineering sectors. Additive
Aiswarya Rony, P. M. Ushasree, Michael Short, Jinoop Arackal Narayanan   +3 more
wiley   +1 more source

A Novel NR3C1 Frameshift Variant Associated With Familial Glucocorticoid Resistance Syndrome: An Integrated Analysis of Steroid Profiling and Structural Modeling

American Journal of Medical Genetics Part A, EarlyView.
ABSTRACT Glucocorticoid resistance syndrome (GRS) is a rare hereditary disorder caused by pathogenic variants in NR3C1, characterized by marked phenotypic heterogeneity and frequent misdiagnosis as primary aldosteronism or subclinical Cushing's syndrome.
Sufang Yun, Zhifeng Zhu, Fengye Zhou, Ying Liu, Chunfang Liang, Haitao Ju, Lin Lu, Zhaoli Yan   +7 more
wiley   +1 more source

Exploring the antidiabetic potential of compounds isolated from Anacardium occidentale using computational aproach: ligand-based virtual screening. [PDF]

In Silico Pharmacol, 2021
Ukwenya VO, Adelakun SA, Elekofehinti OO.   +2 more
europepmc   +1 more source

Interfacial Mn‐Carbon Nitride Synergy Enables Selective Photocatalytic C─H Chlorination via Single‐Atom Catalysis

Angewandte Chemie International Edition, EarlyView.
A manganese single‐atom photocatalyst on functionalised carbon nitride enables selective visible‐light‐driven C(sp2)─H chlorination. DFT‐supported mechanistic studies indicate that photoinduced charge separation activates NCS, while isolated Mn sites stabilize Mn─Cl intermediates at the catalyst interface.
Jaro Vanderghinste, Prakash Kumar Sahoo, Xinbang Wu, Thanh Huyen Vuong, Anna Rokicińska, Susanna Monti, Giovanni Barcaro, Alina Skorynina, Aleksander Jaworski, Vivien Michaelis, Jabor Rabeah, Julia Bornhorst, Laura Simonelli, Piotr Kuśtrowski, Adam Slabon, Paul J. Dyson, Shoubhik Das   +16 more
wiley   +1 more source

Gut Health in Ostriches (Struthio camelus): Insights Into Intestinal Structure, Functions, Microbiome, and Improvement Strategies

Animal Research and One Health, EarlyView.
Our paper systematically reviews the intestinal structure, function, and microbiota of ostriches, along with strategies for improving their gut health. We analyze how these factors collectively influence intestinal homeostasis and ostrich welfare, emphasizing probiotics as a promising intervention to enhance gut health, boost population well‐being, and
Zi‐Qun Zhang, Fang‐Fang Guo, Wen‐Juan Du, Meng Li, Aftab Shaukat, Zhu‐Qing Jia, Shu‐Cheng Huang   +6 more
wiley   +1 more source

Virtual Ligand-Assisted Screening Strategy to Discover Enabling Ligands for Transition Metal Catalysis

The ligand screening process, in which an optimal ligand for a reaction of interest is identified from an enormous and diverse set of candidate molecules, is of particular importance in the development of transition metal catalysis.
Satoshi Maeda (1247163), Yu Harabuchi (1319154), Wataru Matsuoka (3877864)   +2 more
core   +1 more source

Extrapolation and pharmacokinetic protocol design optimization for ceftriaxone as an exemplar for the development of antibiotics for children

British Journal of Clinical Pharmacology, EarlyView.
Aim Ceftriaxone is a cephalosporin commonly used for the treatment of acute, severe infections; however, there are conflicting data on its disposition properties in children, making it a suitable case study for the evaluation of the appropriateness of extrapolation approaches based on exposure matching principles for paediatric patients and exploring ...
Daniel Valente Neves, Umberto Villani, Salvatore D'Agate, Sean Oosterholt, Ricardo de Carvalho Cavalli, Fabio Carmona, Vera Lucia Lanchote, Oscar Della Pasqua   +7 more
wiley   +1 more source

The integrated Lei‐CNS PBPK‐PD model effectively predicts clozapine brain disposition and D2 receptor occupancy in humans

British Journal of Clinical Pharmacology, EarlyView.
Aim Clozapine, used for treatment‐resistant schizophrenia, has a narrow therapeutic window and highly variable plasma pharmacokinetics (PK), necessitating careful monitoring. Direct measurement of unbound brain PK in humans is unethical. To develop a physiologically based pharmacokinetic–pharmacodynamic (PBPK‐PD) model to predict clozapine brain ...
Mengxu Zhang, Thomas I. F. H. Cremers, Vivi Rottschäfer, Elizabeth C. M. de Lange   +3 more
wiley   +1 more source