Proposal of the putative cepharanthine biosynthesis pathway To unravel the genes involved in cepharanthine (1) biosynthesis, we retrieved a set of orthologous gene protein sequences from NCBI, including enzymes such as NCS, methyltransferases, and cytochrome P450 (CYP450). Using these protein seq...
Computer-designed compounds1and2underwent initial in vitro testing to assess their absorption, distribution, metabolism, and excretion (ADME) properties, and were compared to the phase three dual PPARα/γco-agonist aleglitazar41(SI11, TableS14). Both ligands exhibited lipophilicity values within th...
The performance of the final model was verified using a specific case study on 13 pairs of subtrates and the metabolic enzyme cytochrome P450 (CYP). The final model afforded excellent DTI prediction. As the real-world interactions between drugs and target proteins are expected to exhibit specific...
A colossal quantum of information associated with drug metabolism has been culled, and multiple ML schemes have been utilized to foretell the loci where molecules are bio-transformed by disparate metabolic enzymes, like cytochrome P450s (CYP450s), aldehyde oxidase, and Uridine 5′ diphosphoglucuro...
According to our functional analysis using KEGG and GO, these off-targets are involved in several cancer pathways and vasoconstriction and blood circulation, respectively. Although the function of ectopic ORs is mainly unknown, recent studies suggest they influence liver cell metabolism—by modulating ...
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KEGG—Kyoto Encyclopedia of Genes and Genomes; REAC—reactome; WP—Wikipathways; TF—TRANSFAC; MIRNA—miRTarBase; HPA—human protein atlas; CORUM—CORUM protein complexes; HP—human phenotype ontology. (B) Heatmaps of lung-fibrosis pathway, vitamin B12 metabolism, photodynamic therapy-induced NFκB...
Metabolism of Tamoxifen by Recombinant Human Cytochrome P450 Enzymes: Formation of the 4-Hydroxy, 4′-Hydroxy and N-Desmethyl Metabolites and Isomerization of trans-4-Hydroxytamoxifen. Drug Metab. Dispos. 2002, 30, 869–874. [Google Scholar] [CrossRef] [PubMed] Crewe, H.; Ellis, S.; ...