High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalystsâ€
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...
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| Format: | Article |
| Language: | English |
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MDPI AG
2004-07-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/9/8/673/ |
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| author | J. V. Sinisterra E. ÃÂlvarez M. A. Quezada J. D. Carballeira |
| author_facet | J. V. Sinisterra E. ÃÂlvarez M. A. Quezada J. D. Carballeira |
| author_sort | J. V. Sinisterra |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-12T00:33:36Z |
| format | Article |
| id | doaj.art-e360a76acc4447c1b70e7e071a67077e |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-04-12T00:33:36Z |
| publishDate | 2004-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-e360a76acc4447c1b70e7e071a67077e2022-12-22T03:55:15ZengMDPI AGMolecules1420-30492004-07-019867369310.3390/90800673High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalystsâ€J. V. SinisterraE. ÃÂlvarezM. A. QuezadaJ. D. CarballeiraAfter 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.http://www.mdpi.com/1420-3049/9/8/673/BiotransformationsscreeningCoMFAred-oxwhole cells. |
| spellingShingle | J. V. Sinisterra E. ÃÂlvarez M. A. Quezada J. D. Carballeira High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†Molecules Biotransformations screening CoMFA red-ox whole cells. |
| title | High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†|
| title_full | High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†|
| title_fullStr | High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†|
| title_full_unstemmed | High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†|
| title_short | High Throughput Screening and QSAR-3D/CoMFA: Useful Tools to Design Predictive Models of Substrate Specificity for Biocatalysts†|
| title_sort | high throughput screening and qsar 3d comfa useful tools to design predictive models of substrate specificity for biocatalystsa¢a€ |
| topic | Biotransformations screening CoMFA red-ox whole cells. |
| url | http://www.mdpi.com/1420-3049/9/8/673/ |
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