Results 21 to 30 of about 3,066,996 (254)

Prediction of disease progression, treatment response and dropout in chronic obstructive pulmonary disease (COPD). [PDF]

, 2014
Drug development in chronic obstructive pulmonary disease (COPD) has been characterised by unacceptably high failure rates. In addition to the poor sensitivity in forced expiratory volume in one second (FEV1), numerous causes are known to contribute to ...
Danhof, M, Della Pasqua, O, Facius, A, Maas, HJ, Musuamba, FT, Teutonico, D, Yang, S   +6 more
core   +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

Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows [PDF]

, 2017
We describe a computational protocol to aid the design of small molecule and peptide drugs that target protein-protein interactions, particularly for anti-cancer therapy. To achieve this goal, we explore multiple strategies, including finding binding hot
A Goncearenco, A Goncearenco, A Marchler-Bauer, A Truszkowski, AA Bogan, B Graves, B Ma, BA Shoemaker, BA Shoemaker, BA Shoemaker, BJ Smith, CA Goble, CM Yates, D Petrey, E Cukuroglu, FP Davis, H Perez-Sanchez, HS Haase, J Bhagat, J Cinatl, JA Wells, K Wolstencroft, M Guharoy, M Li, M Li, M Li, M Petukh, M Tyagi, MK Gilson, MP Mazanetz, N Estrada-Ortiz, P Aloy, P Aloy, P Filippakopoulos, R Mosca, RR Thangudu, S Beisken, S Kim, S Shangary, S Teng, T Rolland, W Yang, WS Valdar, Y Wang, Y Zhao   +44 more
core   +1 more source

AI-based disease risk score for community-acquired pneumonia hospitalization

iScience, 2023
Summary: Community-acquired pneumonia (CAP) is an acute infection involving the parenchyma of the lungs, which is acquired outside of the hospital. Population-wide real-world data and artificial intelligence (AI) were used to develop a disease risk score
Saeed Shakibfar, Morten Andersen, Maurizio Sessa   +2 more
doaj   +1 more source

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

A novel multifunctional biomedical material based on polyacrylonitrile:preparation and characterization [PDF]

, 2016
Wet spun microfibers have great potential in the design of multifunctional controlled release materials. Curcumin (Cur) and vitamin E acetate (Vit. E Ac) were used as a model drug system to evaluate the potential application of the drug-loaded microfiber
Bremner, David H., Li, He-yu, Shi, Qi-quan, Wu, Huan-ling, Wu, Jun-zi, Xiao, Rui-qiu, Zhu, Li-min   +6 more
core   +3 more sources

Sex-dependent neuronal effects of α-synuclein reveal that GABAergic transmission is neuroprotective of sleep-controlling neurons

Cell & Bioscience, 2023
Background Sleep disorders (SDs) are a symptom of the prodromal phase of neurodegenerative disorders that are mechanistically linked to the protein α-synuclein (α-syn) including Parkinson’s disease (PD).
Altair Brito Dos Santos, Siganya Thaneshwaran, Lara Kamal Ali, César Ramón Romero Leguizamón, Yang Wang, Morten Pilgaard Kristensen, Annette E. Langkilde, Kristi A. Kohlmeier   +7 more
doaj   +1 more source

Modular assembly of indole alkaloids enabled by multicomponent reaction

Nature Communications, 2023
Indole alkaloids are one of the largest alkaloid classes, proving valuable structural moiety in pharmaceuticals. Although methods for the synthesis of indole alkaloids are constantly explored, the direct single-step synthesis of these chemical entities ...
Jiaming Li, Zhencheng Lai, Weiwei Zhang, Linwei Zeng, Sunliang Cui   +4 more
doaj   +1 more source

Customizing the therapeutic response of signaling networks to promote antitumor responses by drug combinations [PDF]

, 2014
Drug resistance, de novo and acquired, pervades cellular signaling networks (SNs) from one signaling motif to another as a result of cancer progression and/or drug intervention.
Bown, James L., Goltsov, Alexey, Goltsov, Gregory, Harrison, David J., Langdon, Simon P.   +4 more
core   +5 more sources