Results 21 to 30 of about 12,560,869 (313)

Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs

Combinatorial Chemistry & High Throughput Screening, 2015
Due to the time and effort requirements for the development of a new drug, and the high attrition rates associated with this developmental process, there is an intense effort by academic and industrial researchers to find novel ways for more effective drug development schemes.
Kellici T, Ntountaniotis D, Vrontaki E, Liapakis G, MoutevelisMinakakis P, Kokotos G, Hadjikakou S, Tzakos AG, Afantitis A, Melagraki G, Bryant S, Langer T, Di Marzo V, Mavromoustakos T   +13 more
openaire   +4 more sources

Dipeptide of ψ-GSH Inhibits Oxidative Stress and Neuroinflammation in an Alzheimer’s Disease Mouse Model

Antioxidants, 2022
Supplementation of glutathione (GSH) levels through varying formulations or precursors has thus far appeared to be a tenable strategy to ameliorate disease-associated oxidative stress.
Abbas Raza, Wei Xie, Kwan-Hyun Kim, Venkateshwara Rao Dronamraju, Jessica Williams, Robert Vince, Swati S. More   +6 more
doaj   +1 more source

DKK1 inhibits breast cancer cell migration and invasion through suppression of β-catenin/MMP7 signaling pathway

Cancer Cell International, 2019
Background DKK1 has been reported to act as a tumor suppressor in breast cancer. However, the mechanism of DKK1 inhibits breast cancer migration and invasion was still unclear.
Jie Niu, Xiao-Meng Li, Xiao Wang, Chao Liang, Yi-Dan Zhang, Hai-Ying Li, Fan-Ye Liu, Hua Sun, Song-Qiang Xie, Dong Fang   +9 more
doaj   +1 more source

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

Blood–brain barrier penetration prediction enhanced by uncertainty estimation

Journal of Cheminformatics, 2022
Blood–brain barrier is a pivotal factor to be considered in the process of central nervous system (CNS) drug development, and it is of great significance to rapidly explore the blood–brain barrier permeability (BBBp) of compounds in silico in early drug ...
Xiaochu Tong, Dingyan Wang, Xiaoyu Ding, Xiaoqin Tan, Qun Ren, Geng Chen, Yu Rong, Tingyang Xu, Junzhou Huang, Hualiang Jiang, Mingyue Zheng, Xutong Li   +11 more
doaj   +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

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

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

Introducing Experience Goals into Packaging Design [PDF]

, 2016
Consumer experiences are an increasingly important driving force for commerce, affecting also packaging design. Yet, experience design for packages is rarely studied.
Roto, Virpi, Virpi Roto, Markus Joutsela, Joutsela, Markus   +3 more
core   +1 more source