A knowledge-guided pre-training framework for improving molecular representation learning

H Li, R Zhang, Y Min, D Ma, D Zhao, J Zeng - Nature Communications, 2023 - nature.com
Learning effective molecular feature representation to facilitate molecular property prediction
is of great significance for drug discovery. Recently, there has been a surge of interest in pre …

Iminosugars as glycosyltransferase inhibitors

I Conforti, A Marra - Organic & biomolecular chemistry, 2021 - pubs.rsc.org
Iminosugars are naturally occurring carbohydrate analogues known since 1967. These
natural compounds and hundreds of their synthetic derivatives prepared over five decades …

[HTML][HTML] Protection against COVID-19 injury by qingfei paidu decoction via anti-viral, anti-inflammatory activity and metabolic programming

J Chen, Y Wang, Y Gao, LS Hu, J Yang, J Wang… - Biomedicine & …, 2020 - Elsevier
Qingfei Paidu decoction (QFPD), a multi-component herbal formula, has been widely used
to treat COVID-19 in China. However, its active compounds and mechanisms of action are …

Evaluation of nanoplastics toxicity to the human placenta in systems

CE Enyoh, CE Duru, PE Ovuoraye, Q Wang - Journal of Hazardous …, 2023 - Elsevier
Following the discovery of plastics in the human placenta, this study evaluated the toxicity of
ten different nanoplastics (NPs) in the human placenta. Since the placenta performs …

Antimicrobial peptides grafted onto the surface of N-acetylcysteine-chitosan nanoparticles can revitalize drugs against clinical isolates of Mycobacterium tuberculosis

LMDG Primo, CA Roque-Borda, CSC Canales… - Carbohydrate …, 2024 - Elsevier
Tuberculosis is caused by Mycobacterium tuberculosis (MTB) and is the leading cause of
death from infectious diseases in the World. The search for new antituberculosis drugs is a …

Phthalimides as anti-inflammatory agents

HM Heras Martinez, E Barragan… - Future medicinal …, 2025 - Taylor & Francis
ABSTRACT Isoindoline-1, 3-dione, also referred as phthalimide, has gained recognition as
promising pharmacophore due to the documented biological activities of its derivatives …

Assessing Squarates as Amine-Reactive Probes

KI Taylor, JS Ho, HO Trial, AW Carter… - Journal of the …, 2023 - ACS Publications
Probes that covalently label protein targets facilitate the identification of ligand-binding sites.
Lysine residues are prevalent in the proteome, making them attractive substrates for …

Anti-liver fibrosis activity of curcumin/chitosan-coated green silver nanoparticles

A Elzoheiry, E Ayad, N Omar, K Elbakry, A Hyder - Scientific Reports, 2022 - nature.com
Liver fibrosis results from the hepatic accumulation of the extracellular matrix accompanied
by a failure of the mechanisms responsible for matrix dissolution. Pathogenesis of liver …

Insighting the inhibitory potential of novel modafinil drug derivatives against estrogen alpha (ERα) of breast cancer through a triple hybrid computational methodology

A Saba, F Sarwar, S Muhammad, M Ilyas, J Iqbal… - Journal of molecular …, 2022 - Elsevier
Breast cancer (Bc a) is the prominent, most commonly detected, and the leading cause of
mortality among women. Estrogen receptor alpha (ERα) is considered an important receptor …

Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors

A Khaldan, S Bouamrane, R El-mernissi… - New Journal of …, 2022 - pubs.rsc.org
Leishmaniasis is a severe disease caused by protozoan parasites of the genus Leishmania
and it is accountable for sizable morbidity and mortality worldwide. So far, no effective …