Large-scale ligand perturbations of the protein conformational landscape reveal state-specific interaction hotspots
TR Stachowski, M Fischer - Journal of Medicinal Chemistry, 2022 - ACS Publications
Protein flexibility is important for ligand binding but often ignored in drug design.
Considering proteins as ensembles rather than static snapshots creates opportunities to …
Considering proteins as ensembles rather than static snapshots creates opportunities to …
[HTML][HTML] A Review of Electromagnetic Fields in Cellular Interactions and Cacao Bean Fermentation
TM Guzmán-Armenteros, J Ruales, L Ramos-Guerrero - Foods, 2024 - mdpi.com
The influence of magnetic fields on biological systems, including fermentation processes
and cocoa bean fermentation, is an area of study that is under development. Mechanisms …
and cocoa bean fermentation, is an area of study that is under development. Mechanisms …
An updated classification and mechanistic insights into ligand binding of the substrate‐binding proteins
M Chandravanshi, SK Tripathi, SP Kanaujia - FEBS letters, 2021 - Wiley Online Library
Substrate‐binding proteins (SBPs) mediate ligand translocation and have been classified
into seven clusters (A‐G). Although the substrate specificities of these clusters are known to …
into seven clusters (A‐G). Although the substrate specificities of these clusters are known to …
Inhibition of IL-17 signaling in macrophages underlies the anti-arthritic effects of halofuginone hydrobromide: Network pharmacology, molecular docking, and …
J Zhu, J Wei, Y Lin, Y Tang, Z Su, L Li, B Liu… - … Medicine and Therapies, 2024 - Springer
Background Rheumatoid arthritis (RA) is a prevalent autoimmune disease marked by
chronic synovitis as well as cartilage and bone destruction. Halofuginone hydrobromide …
chronic synovitis as well as cartilage and bone destruction. Halofuginone hydrobromide …
[HTML][HTML] The immunomodulatory activity of Orthosiphon aristatus against atopic dermatitis: Evidence-based on network pharmacology and molecular simulations
TA Pandaleke, K Handono, D Widasmara… - Journal of Taibah …, 2024 - Elsevier
Objectives To explore the potential activity of Orthosiphon aristatus (OA) against atopic
dermatitis (AD). Methods Phytocompounds from OA were identified through chromatography …
dermatitis (AD). Methods Phytocompounds from OA were identified through chromatography …
How arginine inhibits substrate‐binding domain 2 elucidated using molecular dynamics simulations
M Kienlein, M Zacharias - Protein Science, 2024 - Wiley Online Library
The substrate‐binding domain 2 (SBD2) is an important part of the bacterial glutamine
(GLN) transporter and mediates binding and delivery of GLN to the transporter translocation …
(GLN) transporter and mediates binding and delivery of GLN to the transporter translocation …
An insecticide application scheme in cotton fields with bi-directional selective effects on bees and pests
M Du, M Li, X Li, H Yang, Y Li - International Journal of Tropical Insect …, 2022 - Springer
In this paper, molecular dynamics, full factorial experimental design and molecular docking
were used to determine the toxic effects of pesticides on pests (Tetranychus telarius, Lygus …
were used to determine the toxic effects of pesticides on pests (Tetranychus telarius, Lygus …
Maltodextrin Transport in the Extremely Thermophilic, Lignocellulose Degrading Bacterium Anaerocellum bescii (f. Caldicellulosiruptor bescii)
Sugar transport into microbial cells is a critical, yet understudied step in the conversion of
lignocellulosic biomass to metabolic products. Anaerocellum bescii (formerly …
lignocellulosic biomass to metabolic products. Anaerocellum bescii (formerly …
Chrysin Inhibits Indonesian Serotype Foot-and-Mouth-Disease Virus Replication: Insights from DFT, Molecular Docking, and Molecular Dynamics Analyses.
Chrysin, a predominant compound in Propolis, possesses diverse bioactivities, including
antiviral properties. However, its antiviral efficacy against the Indonesian Foot-and-Mouth …
antiviral properties. However, its antiviral efficacy against the Indonesian Foot-and-Mouth …
Dual‐Inhibition of Human N‐Myristoyltransferase Subtypes Halts Common Cold Pathogenesis: Atomistic Perspectives from the Case of IMP‐1088**
The pharmacological inhibition of human N‐myristoyltransferase (HsNMT) has emerged as
an efficient strategy to completely prevent the replication process of rhinoviruses, a potential …
an efficient strategy to completely prevent the replication process of rhinoviruses, a potential …