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 …
Exome variants associated with asthma and allergy
M Wjst - Scientific Reports, 2022 - nature.com
The mutational spectrum of asthma and allergy associated genes is not known although
recent biobank based exome sequencing studies included these traits. We therefore …
recent biobank based exome sequencing studies included these traits. We therefore …
Identification of small molecules as potential inhibitors of interleukin 6: a multi-computational investigation
Abstract IL (interleukin)-6 is a multifunctional cytokine crucial for immunological,
hematopoiesis, inflammation, and bone metabolism. Strikingly, IL-6 has been shown to …
hematopoiesis, inflammation, and bone metabolism. Strikingly, IL-6 has been shown to …
Investigating the polyethylene degradation mechanism using docking and molecular dynamics simulations
Polyethylene (PE), widely utilized in everyday life, is notorious for its protracted degradation
period, extending over decades, presenting an environmental hazard. Recently, there has …
period, extending over decades, presenting an environmental hazard. Recently, there has …
LY3041658/interleukin-8 complex structure as targets for IL-8 small molecule inhibitors discovery using a combination of in silico methods
ABSTRACT Since interleukin-8 (IL-8/CXCL8) and its receptor, CXCR1 and CXCR2, were
known in the early 1990s, biological pathways related to these proteins were proven to have …
known in the early 1990s, biological pathways related to these proteins were proven to have …
Binding ability of Delta and Omicron towards the angiotensin-converting enzyme 2 receptor and antibodies: a computational study
QT Nguyen, TT Mai, LT Tuong… - Journal of …, 2024 - Taylor & Francis
The COVID-19 pandemic posed a threat to global society. Delta and Omicron are
concerning variants due to the risk of increasing human-to-human transmissibility and …
concerning variants due to the risk of increasing human-to-human transmissibility and …
Tozorakimab. Anti-IL-33 monoclonal antibody, Treatment of COPD and asthma, Treatment of atopic dermatitis, Treatment of diabetic kidney disease
M Cazzola, P Rogliani, L Calzetta… - Drugs of the Future, 2023 - access.portico.org
Summary Interleukin (IL)-33, a cytokine belonging to the IL-1 superfamily, is believed to
serve as an “alarmin.” It interacts with the widely expressed receptors ST2 and IL-1 receptor …
serve as an “alarmin.” It interacts with the widely expressed receptors ST2 and IL-1 receptor …
Identification of efflux pump inhibitors for Pseudomonas aeruginosa MexAB-OprM via ligand-based pharmacophores, 2D-QSAR, molecular docking, and molecular …
Efflux pumps have been reported as one of the significant mechanisms by which bacteria
evade the effects of multiple antibiotics. The tripartite efflux pump MexAB-OprM in …
evade the effects of multiple antibiotics. The tripartite efflux pump MexAB-OprM in …
Eicosanoids, innate immunity, and alarmins in aspirin-exacerbated respiratory disease
AE Conway, AA White, L Borish, M Shaker… - Annals of Allergy …, 2024 - annallergy.org
Despite the advent of targeted biologics, the management of chronic rhinosinusitis (CRS)
and other chronic allergic conditions is challenging for both physicians and patients, and …
and other chronic allergic conditions is challenging for both physicians and patients, and …