Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces
Pharmacophore models are an accurate and minimal tridimensional abstraction of intermolecular interactions between chemical structures, usually derived from a group of molecules or from a ligand-target complex.
Jérémie Mortier +2 more
doaj +1 more source
Kulcsfontosságú gének genomikai előrejelzése: In Silico megközelítés = Genomic prediction of essential genes: in silico approach [PDF]
Kulcsfontosságú gének bioinformatikai elemzése: Csoportunk számos számos olyan sajátságot ismertek fel, melyek segítségével jellemezni lehet az esszenciális vagy a géndózis változására érzékeny géneket.
Pál, Csaba
core
The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions [PDF]
Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative ...
Blomberg N +6 more
core +2 more sources
Underestimated effect of intragenic HIV-1 DNA methylation on viral transcription in infected individuals [PDF]
Background: The HIV-1 proviral genome harbors multiple CpG islands (CpGIs), both in the promoter and intragenic regions. DNA methylation in the promoter region has been shown to be heavily involved in HIV-1 latency regulation in cultured cells.
De Meyer, Tim +7 more
core +2 more sources
Etoposide induces DNA damage, activating p53‐dependent apoptosis via caspase‐3/7, which cleaves PARP1. Dammarenediol II enhances this apoptotic pathway by suppressing O‐GlcNAc transferase activity, further decreasing O‐GlcNAcylation. The reduction in O‐GlcNAc levels boosts p53‐driven apoptosis and influences the Akt/GSK3β/mTOR signaling pathway ...
Jaehoon Lee +8 more
wiley +1 more source
Small molecules that target RNA are emerging as a powerful therapeutic modality, although deriving structure–activity relationships (SARs) remains a major challenge.
Haruhiko Hattori +6 more
doaj +1 more source
Combined in silico/in vivo analysis of mechanisms providing for root apical meristem self-organization and maintenance. [PDF]
Background and aimsThe root apical meristem (RAM) is the plant stem cell niche which provides for the formation and continuous development of the root.
Doroshkov, AV +8 more
core +2 more sources
Meta‐transcriptome analysis identified FGF19 as a peptide enteroendocrine hormone associated with colorectal cancer prognosis. In vivo xenograft models showed release of FGF19 into the blood at levels that correlated with tumor volumes. Tumoral‐FGF19 altered murine liver metabolism through FGFR4, thereby reducing bile acid synthesis and increasing ...
Jordan M. Beardsley +5 more
wiley +1 more source
Introduction: In developed countries, the age structure of the population is currently undergoing an upward shift, resulting a decrease in general bone quality and surgical durability. Over the past decade, oblique lumbar interbody fusion (OLIF) has been
Ferenc Bereczki +8 more
doaj +1 more source
A rapid stability-indicating, fused-core HPLC method for simultaneous determination of β-artemether and lumefantrine in anti-malarial fixed dose combination products [PDF]
Background: Artemisinin-based fixed dose combination (FDC) products are recommended by World Health Organization (WHO) as a first-line treatment. However, the current artemisinin FDC products, such as beta-artemether and lumefantrine, are inherently ...
Bracke, Nathalie +8 more
core +2 more sources

