Computational biology and chemistry

Comput Biol Chem · ISSN (e) 1476-928X · 3 papers in corpus
article 2026
A multi-dimensional computational screening strategy for rapid identification of active components from traditional chinese medicine: Validation and application in Liangdi decoction against endometriosis
doi:10.1016/j.compbiolchem.2026.109118 ·PMID:42119370

AIMS: This study aims to develop and validate a Multi-Dimensional Computational Screening (MDCS) strategy to identify bioactive components by jointly considering target affinity, exposure potential, and safety, using Liangdi decoction (LDD)…

other 2025
A transcriptomic analysis of the interplay of ferroptosis and immune filtration in endometriosis and identification of novel therapeutic targets
doi:10.1016/j.compbiolchem.2025.108343 ·PMID:39798208

Endometriosis is an inflammatory disease, involving immune cell infiltration and production of inflammatory mediators. Ferroptosis has recently been recognized as a mode of controlled cell death and the iron overload and peroxidative enviro…

other 2017
Systematic identification of the druggable interactions between human protein kinases and naturally occurring compounds in endometriosis
doi:10.1016/j.compbiolchem.2017.10.006 ·PMID:29096379

Diverse kinase signaling pathways have been involved in the pathogenesis of endometriosis (EM), which can be modulated either by directly targeting the hub kinases or by indirectly regulating marginal members in the pathways. Here, a system…