Results 21 to 30 of about 1,790,908 (315)

Targeting isoaspartate-modified Aβ rescues behavioral deficits in transgenic mice with Alzheimer’s disease-like pathology

Alzheimer’s Research & Therapy, 2020
Background Amyloid β (Aβ)-directed immunotherapy has shown promising results in preclinical and early clinical Alzheimer’s disease (AD) trials, but successful translation to late clinics has failed so far.
Kathrin Gnoth, Anke Piechotta, Martin Kleinschmidt, Sandra Konrath, Mathias Schenk, Nadine Taudte, Daniel Ramsbeck, Vera Rieckmann, Stefanie Geissler, Rico Eichentopf, Susan Barendrecht, Maike Hartlage-Rübsamen, Hans-Ulrich Demuth, Steffen Roßner, Holger Cynis, Jens-Ulrich Rahfeld, Stephan Schilling   +16 more
doaj   +1 more source

4,7-Disubstituted 7H-Pyrrolo[2,3-d]pyrimidines and Their Analogs as Antiviral Agents against Zika Virus

Molecules, 2021
Discovery of compound 1 as a Zika virus (ZIKV) inhibitor has prompted us to investigate its 7H-pyrrolo[2,3-d]pyrimidine scaffold, revealing structural features that elicit antiviral activity.
Ruben Soto-Acosta, Eunkyung Jung, Li Qiu, Daniel J. Wilson, Robert J. Geraghty, Liqiang Chen   +5 more
doaj   +1 more source

Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators [PDF]

, 2011
AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer.
Yu, Hui, Zhang, Liangren, Zhou, Lishe, Hongwei Jin, Yongfu Wang, Zhanli Wang, Sun, Lidan, Jianxin Huo, Lishe Zhou, Huo, Jianxin, Wang, Zhanli, Wang, Yongfu, Hui Yu, Liangren Zhang, Jin, Hongwei, Lidan Sun   +15 more
core   +1 more source

LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP

Journal of Cheminformatics, 2023
Lipophilicity is a fundamental physical property that significantly affects various aspects of drug behavior, including solubility, permeability, metabolism, distribution, protein binding, and toxicity.
Yitian Wang, Jiacheng Xiong, Fu Xiao, Wei Zhang, Kaiyang Cheng, Jingxin Rao, Buying Niu, Xiaochu Tong, Ning Qu, Runze Zhang, Dingyan Wang, Kaixian Chen, Xutong Li, Mingyue Zheng   +13 more
doaj   +1 more source

Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery

Nature Communications, 2023
Interest in macrocycles as potential therapeutic agents has increased rapidly. Macrocyclization of bioactive acyclic molecules provides a potential avenue to yield novel chemical scaffolds, which can contribute to the improvement of the biological ...
Yanyan Diao, Dandan Liu, Huan Ge, Rongrong Zhang, Kexin Jiang, Runhui Bao, Xiaoqian Zhu, Hongjie Bi, Wenjie Liao, Ziqi Chen, Kai Zhang, Rui Wang, Lili Zhu, Zhenjiang Zhao, Qiaoyu Hu, Honglin Li   +15 more
doaj   +1 more source

Enhanced Remdesivir Analogues to Target SARS-CoV-2

Molecules, 2023
We report the short synthesis of novel C-nucleoside Remdesivir analogues, their cytotoxicity and an in vitro evaluation against SARS-CoV-2 (CoV2). The described compounds are nucleoside analogues bearing a nitrogen heterocycle as purine analogues.
Ryuichi Majima, Tiffany C. Edwards, Christine D. Dreis, Robert J. Geraghty, Laurent F. Bonnac   +4 more
doaj   +1 more source

Targeted protein degradation and multicomponent reactions in drug discovery [PDF]

, 2022
Multicomponent reaction (MCR) chemistry is a promising and useful tool for building the chemical library in a manner of high-efficiency, low-cost and mild conditions. Targeted protein degradation (TPD) as a hopeful technology has attracted much attention
Wang, Zefeng
core   +1 more source

2.Computer-aided drug design symposium and workshop abstract book [PDF]

, 2022
The focus of the symposium is to bring together academia and industry with an interest in the validation of novel biomolecule targets to treat disease with an unmet clinical need and in applying computational technologies towards the discovery and ...
Sheridan, Helen, Ece, Abdulilah
core  

Multicomponent reactions, applications in medicinal chemistry & new modalities in drug discovery [PDF]

, 2020
The aim of this dissertation is to discuss new targets, to apply multicomponent reaction chemistry on scaffolds significant for medicinal chemistry applications and to implement new modalities in drug design and medicinal chemistry.
Konstantinidou, Markella
core   +1 more source

Rewiring Drug Research and Development through Human Data-Driven Discovery (HD3) [PDF]

, 2023
In an era of unparalleled technical advancement, the pharmaceutical industry is struggling to transform data into increased research and development efficiency, and, as a corollary, new drugs for patients.
Rebecca Racz, David B. Jackson, Keith Burkhart, Stephan Brock, Sarah Kim   +4 more
core   +1 more source