Function of lipid binding proteins of parasitic helminths: still a long road

JF Lombardo, JL Pórfido, MS Sisti, AN Giorello… - Parasitology …, 2022 - Springer
Infections with parasitic helminths cause severe debilitating and sometimes lethal diseases
in humans and domestic animals on a global scale. Unable to synthesize de novo their own …

From data to knowledge: systematic review of tools for automatic analysis of molecular dynamics output

H Baltrukevich, S Podlewska - Frontiers in Pharmacology, 2022 - frontiersin.org
An increasing number of crystal structures available on one side, and the boost of
computational power available for computer-aided drug design tasks on the other, have …

De novo design of cavity-containing proteins with a backbone-centered neural network energy function

Y Xu, X Hu, C Wang, Y Liu, Q Chen, H Liu - Structure, 2024 - cell.com
The design of small-molecule-binding proteins requires protein backbones that contain
cavities. Previous design efforts were based on naturally occurring cavity-containing …

Aphelenchoides besseyi Ab-FAR-1 Interacts with Arabidopsis thaliana AtADF3 to Interfere with Actin Cytoskeleton, and Promotes Nematode Parasitism and …

S Ding, X Cheng, D Wang, C Chen, S Yang… - International Journal of …, 2022 - mdpi.com
Fatty acid and retinol binding proteins (FAR) are unique proteins found in nematodes and
are considered potential targets for controlling these parasites. However, their functions in …

Tardigrade secretory-abundant heat-soluble protein varies entrance propensity depending on the amino-acid sequence

K Miyazawa, SG Itoh, Y Yoshida… - The Journal of …, 2022 - ACS Publications
Secretory-abundant heat-soluble (SAHS) proteins, which constitute a protein family unique
to tardigrades, are thought to be essential for anhydrobiosis. Our previous study has …

QM/MM and molecular dynamics investigation of the mechanism of covalent inhibition of TAK1 kinase

B Toviwek, D Gleeson, MP Gleeson - Organic & Biomolecular …, 2021 - pubs.rsc.org
TAK1 is a serine/threonine kinase which is involved in the moderation of cell survival and
death via the TNFα signalling pathway. It is also implicated in a range of cancer and anti …

Analysis of changes of cavity volumes in predefined directions of protein motions and cavity flexibility

GP Barletta, M Barletta, TE Saldaño… - Journal of …, 2022 - Wiley Online Library
Dynamics of protein cavities associated with protein fluctuations and conformational
plasticity is essential for their biological function. NMR ensembles, molecular dynamics (MD) …

Novel Functions of the Fatty Acid and Retinol Binding Protein (FAR) Gene Family Revealed by Fungus-Mediated RNAi in the Parasitic Nematode, Aphelenchoides …

S Ding, C Xu, C Chen, J Li, J Wang, H Xie - International journal of …, 2021 - mdpi.com
RNA interference (RNAi) is a powerful tool for the analysis of gene function in nematodes.
Fatty acid and retinol binding protein (FAR) is a protein that only exists in nematodes and …

Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular …

YJ Alvarado, Y Olivarez, C Lossada… - … Biology and Chemistry, 2022 - Elsevier
The COVID-19 pandemic has accelerated the study of drugs, most notably ivermectin and
more recently Paxlovid (PF-07321332) which is in phase III clinical trials with experimental …

Avaliação da expressão relativa de enzimas antioxidantes do nemátode fitoparasita Pratylenchus penetrans envolvidas na resposta ao composto orgânico 3-Octanol

J De Bruijn - 2023 - dspace.uevora.pt
O nemátode das lesões radiculares (NLRs) Pratylenchus penetrans é um nemátode
fitoparasita migratório capaz de infetar mais de 400 culturas com interesse agrícola. Em …