Results 21 to 30 of about 2,956,994 (356)

Enhanced Remdesivir Analogues to Target SARS-CoV-2

open access: yesMolecules, 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   +4 more
doaj   +1 more source

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

open access: yesJournal 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   +13 more
doaj   +1 more source

The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions [PDF]

open access: yes, 2019
Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative ...
Blomberg N   +6 more
core   +1 more source

Identifying and preventing health problems among young drug-misusing offenders [PDF]

open access: yes, 2013
Purpose – The purpose of this paper is to identify the health problems and treatment needs of drug-misusing offenders and to draw out the implications of the findings for health education and prevention.
Judith Aldridge   +2 more
core   +2 more sources

Controlling platinum, ruthenium, and osmium reactivity for anticancer drug design [PDF]

open access: yes, 2009
The main task of the medicinal chemist is to design molecules that interact specifically with derailed or degenerating processes in a diseased organism, translating the available knowledge of pathobiochemical and physiological data into chemically ...
Bruijnincx, Pieter C. A., Sadler, P. J.
core   +1 more source

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

open access: yesCell & 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   +7 more
doaj   +1 more source

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

open access: yes, 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   +6 more
core   +1 more source

Explaining drug-resistant infection in community pharmacies through effective information design [PDF]

open access: yes, 2020
This paper describes a research project in which information design, human factors, architecture and pharmacy academics worked with pharmacy professionals and pharmacy users to consider how to present information about antimicrobial resistance (AMR) in a
Hignett, Sue   +4 more
core   +1 more source

Modular assembly of indole alkaloids enabled by multicomponent reaction

open access: yesNature 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   +4 more
doaj   +1 more source

Causal Intervention for Measuring Confidence in Drug-Target Interaction Prediction [PDF]

open access: yesarXiv, 2023
Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently, knowledge graph and knowledge graph embedding (KGE) models have made rapid advancements and demonstrated impressive ...
arxiv  

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