Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free …
Interleukin 6 (IL-6) is a cytokine with various biological functions in immune regulation,
hematopoiesis, and inflammation. Elevated IL-6 levels have been identified in several …
hematopoiesis, and inflammation. Elevated IL-6 levels have been identified in several …
[HTML][HTML] Identification of triterpenoid saponin inhibitors of interleukin (IL)-33 signaling from the roots of Astragalus membranaceus
Abstract Interleukin-33 (IL-33) is a cytokine produced by epithelial cells that plays a key role
in immune-mediated diseases, such as asthma, atopic dermatitis, and rheumatoid arthritis …
in immune-mediated diseases, such as asthma, atopic dermatitis, and rheumatoid arthritis …
In silico design, synthesis, and biological evaluation of anticancer arylsulfonamide endowed with anti-telomerase activity
Telomerase, a reverse transcriptase enzyme involved in DNA synthesis, has a tangible role
in tumor progression. Several studies have evidenced telomerase as a promising target for …
in tumor progression. Several studies have evidenced telomerase as a promising target for …
Discovery of benzothiazole-based thiazolidinones as potential anti-inflammatory agents: Anti-inflammatory activity, soybean lipoxygenase inhibition effect and …
Despite the greatest achievement in the development of anti-inflammatory agents in the last
two decades, the current clinical drugs suffer from a variety of complications in community …
two decades, the current clinical drugs suffer from a variety of complications in community …
Toward Unveiling Putative Binding Sites of Interleukin-33: Insights from Mixed-Solvent Molecular Dynamics Simulations of the Interleukin-1 Family
The interleukin (IL)-1 family is a major proinflammatory cytokine family, ranging from the well-
studied IL-1s to the most recently discovered IL-33. As a new focus, IL-33 has attracted …
studied IL-1s to the most recently discovered IL-33. As a new focus, IL-33 has attracted …
Discovery of small molecular inhibitors for interleukin-33/ST2 protein–protein interaction: A virtual screening, molecular dynamics simulations and binding free energy …
The interleukin-1 receptor like ST2 has emerged as a potential drug discovery target since it
was identified as the receptor of the novel cytokine IL-33, which is involved in many …
was identified as the receptor of the novel cytokine IL-33, which is involved in many …
Discovery of AcrAB-TolC pump inhibitors: Virtual screening and molecular dynamics simulation approach
TV Phan, VTV Nguyen, CHH Nguyen… - Journal of …, 2023 - Taylor & Francis
AcrAB-TolC tripartite efflux pump, which belongs to the RND superfamily, is a main multi-
drug efflux system of Escherichia coli (E. coli) because of the broad resistance on various …
drug efflux system of Escherichia coli (E. coli) because of the broad resistance on various …
Computational assessment and in vitro test of phytochemicals of Usnea aciculifera as potential inhibitors of Escherichia coli efflux pump AcrB
Lichens produce secondary metabolites that have many pharmaceutical activities such as
antimicrobial, antioxidant, antiviral, anticancer, antigenotoxic, anti-inflammatory, analgesic …
antimicrobial, antioxidant, antiviral, anticancer, antigenotoxic, anti-inflammatory, analgesic …
Identification of potential interleukin-8 inhibitors acting on the interactive site between chemokine and CXCR2 receptor: A computational approach
Interactions between interleukin (IL)-8 and its receptors, CXCR1, and CXCR2, serve crucial
roles in inflammatory conditions and various types of cancers. Inhibition of this signaling …
roles in inflammatory conditions and various types of cancers. Inhibition of this signaling …
In silico approach to identify novel allosteric intracellular antagonist for blocking the interleukin-8/CXCR2 receptor signaling pathway
TTN Tran, QH Tran, CQ Duong… - Journal of …, 2023 - Taylor & Francis
The role of interleukin-8 (IL-8) and its receptor CXCR2 in inflammatory responses and tumor
development and progression has been well documented. Our study aims to discover novel …
development and progression has been well documented. Our study aims to discover novel …