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Based on a simple E.coli growth inhibition assay, the authors trained a model capable of identifying antibiotic potential in compounds structurally divergent from conventional antibiotic drugs. One of the predicted active molecules, Halicin (SU3327), was experimentally validated in vitro and in vivo...
2024-04-22 | MODEL2404080001 | BioModels
This model was developed to support the early efforts in the identification of novel drugs against SARS-CoV2. It predicts the probability that a small molecule inhibits SARS-3CLpro-mediated peptide cleavage. It was developed using a high-throughput screening against the 3CL protease of SARS-CoV1, as...
2024-05-08 | MODEL2405080006 | BioModels
Autotaxin (ATX), encoded by ENPP2, catalyzes the production of lysophosphatidic acid (LPA), an important regulator within the tumor microenvironment (TME). ATX is a clinical target in pancreatic ductal adenocarcinoma (PDAC), yet the pro-tumorigenic action of the ATX/LPA axis in PDAC remains unclear....
ORGANISM(S): Homo sapiens 
Using multiple omics approaches to explore the effect of the gut microbial ecosytem on inflammatory bowel disease
ORGANISM(S): Environmental Samples <bacteria> (ncbitaxon:48479) 
2019-07-02 | MSV000084050 | MassIVE
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