High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†
| Autor: | J.D. Carballeira, M.A. Quezada, José V. Sinisterra, E. Álvarez |
|---|---|
| Rok vydání: | 2004 |
| Předmět: |
Quantitative structure–activity relationship
CoMFA Ketone High-throughput screening Quantitative Structure-Activity Relationship Pharmaceutical Science Biology Catalysis Article Substrate Specificity Analytical Chemistry lcsh:QD241-441 lcsh:Organic chemistry Biotransformations Drug Discovery Organic chemistry whole cells Physical and Theoretical Chemistry chemistry.chemical_classification Bacteria Cyclohexanones screening Organic Chemistry Alcohol Dehydrogenase Fungi Ketones Oxidation Activity Cyclohexanols equipment and supplies Kinetics Menthol Models Chemical red-ox chemistry Chemistry (miscellaneous) Alcohol oxidation Fermentation Molecular Medicine Substrate specificity Oxidation-Reduction |
| Zdroj: | Molecules, Vol 9, Iss 8, Pp 673-693 (2004) Molecules Volume 9 Issue 8 Pages 673-693 |
| ISSN: | 1420-3049 |
| Popis: | After a hierarchical microbial screening process, new microorganisms have been discovered that act as biocatalysts for the stereoselective oxidation of secondary alcohols or for ketone reduction. Oxidation activity is more widespread in yeasts and bacteria, while actinomycetes, filamentous fungi and yeasts present the highest reduction activities. QSAR-3D/CoMFA is an adequate technique to design predictive models of the biocatalysts’ activity. In this paper CoMFA models are designed to compare the activities of the biocatalysts selected for the oxidation of alcohols and for the reduction of ketones, starting from the results obtained during the screening process. These models are useful for learning about the activity of these microorganisms and to compare the substrate specificity requirements between alcohol oxidation and ketone reduction biocatalysts. |
| Databáze: | OpenAIRE |
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