AIMC Topic: Biotransformation

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Microalgae-based bioremediation of emerging contaminants: techniques, recent developments, and future perspectives.

Archives of microbiology
Rapid industrialisation, urbanisation, and agricultural chemical fertilizer expansion have raised concerns over the accumulation and biomagnification of recalcitrant and emerging contaminants. Often, these compounds are resistant to degradation, and ...

Optimization of a Novel Engineered Ecosystem Integrating Carbon, Nitrogen, Phosphorus, and Sulfur Biotransformation for Saline Wastewater Treatment Using an Interpretable Machine Learning Approach.

Environmental science & technology
The denitrifying sulfur (S) conversion-associated enhanced biological phosphorus removal (DS-EBPR) process for treating saline wastewater is characterized by its unique microbial ecology that integrates carbon (C), nitrogen (N), phosphorus (P), and S...

MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database.

International journal of molecular sciences
The prediction of drug metabolism is attracting great interest for the possibility of discarding molecules with unfavorable ADME/Tox profile at the early stage of the drug discovery process. In this context, artificial intelligence methods can genera...

GutBug: A Tool for Prediction of Human Gut Bacteria Mediated Biotransformation of Biotic and Xenobiotic Molecules Using Machine Learning.

Journal of molecular biology
Dietary components and bioactive molecules present in functional foods and nutraceuticals provide various beneficial effects including modulation of host gut microbiome. These metabolites along with orally administered drugs can be potentially bio-tr...

GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics.

Chemical research in toxicology
Predicting the structures of metabolites formed in humans can provide advantageous insights for the development of drugs and other compounds. Here we present GLORYx, which integrates machine learning-based site of metabolism (SoM) prediction with rea...

Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program.

Molecules (Basel, Switzerland)
The study is aimed at developing linear classifiers to predict the capacity of a given substrate to yield reactive metabolites. While most of the hitherto reported predictive models are based on the occurrence of known structural alerts (e.g., the pr...

Ultrasound-assisted d-tartaric acid whole-cell bioconversion by recombinant Escherichia coli.

Ultrasonics sonochemistry
d-Tartaric acid has wide range of application in the pharmaceutical industry and scarcely exists in nature. In this study, cis-epoxysuccinate hydrolase (CESH)-containing Escherichia coli was used to perform whole-cell bioconversion of cis-epoxysuccin...

Enhanced d-tagatose production by spore surface-displayed l-arabinose isomerase from isolated Lactobacillus brevis PC16 and biotransformation.

Bioresource technology
In the present study, a new strain of Lactobacillus brevis producing d-tagatose was isolated and identified. Then, the l-arabinose isomerase (L-AI) of this strain was displayed on the spore surface of Bacillus subtilis DB403 by using an anchoring pro...

DeepMBEnzy: An AI-Driven Database of Mycotoxin Biotransformation Enzymes.

Journal of agricultural and food chemistry
Mycotoxins are toxic fungal metabolites that pose significant health risks. Enzyme biotransformation is a promising option for detoxifying mycotoxins and for elucidating their intracellular metabolism. However, few mycotoxin-biotransformation enzymes...