Results 21 to 30 of about 13,089,035 (315)

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

open access: yesNature 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   +15 more
doaj   +1 more source

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

Quality-by-Design-Based Development of a Voxelotor Self-Nanoemulsifying Drug-Delivery System with Improved Biopharmaceutical Attributes.

open access: yes, 2021
Low aqueous solubility and poor oral bioavailability are limiting factors in the oral delivery of voxelotor, an antisickling agent. To overcome these limitations, a voxelotor self-nanoemulsifying drug delivery system was developed.
Mbinze, Jérémie K   +13 more
core   +1 more source

Tacit Learning in an Extended Interior Design Studio [PDF]

open access: yes, 2019
5th DRS Learn X Design International Conference for Design Education Researchers: Insider Knowledge, 9-12 July 2019, METU, Ankara202403 bckwVersion of RecordSelf ...
Venkatesh, A   +5 more
core   +1 more source

Drug eluting hydrogels design, synthesis and evaluation [PDF]

open access: yes, 2012
Hydrogels have successfully proved themselves useful for drug delivery applications and several delivery routes have been developed over the years. The particular interest in this work was to design, synthesise and evaluate in situ forming drug eluting ...
Ahrenstedt, Lage
core   +1 more source

Exploring Polypharmacology in Drug Design

open access: yes, 2018
Nowadays it is widely accepted that one compound can be able to hit several targets at once. This “magic shotgun” approach for drug development properly describes the mechanism of biomolecular recognition.
Eriksson, Leif A,   +4 more
core   +1 more source

A Guide to In Silico Drug Design

open access: yes, 2022
The drug discovery process is a rocky path that is full of challenges, with the result that very few candidates progress from hit compound to a commercially available product, often due to factors, such as poor binding affinity, off-target effects, or ...
Hawkins, Bryson A.   +11 more
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

DrugEx v3: Scaffold-Constrained Drug Design with Graph Transformer-based Reinforcement Learning [PDF]

open access: yes, 2021
Due to the large drug-like chemical space available to search for feasible drug-like molecules, rational drug design often starts from specific scaffolds to which side chains/substituents are added or modified. With the rapid growth of the application of
Adriaan P. , IJzerman   +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

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