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https://github.com/sysbiochalmers/cellfactory-ecyeastgem

Code and data for in silico strain design for enhanced production of +100 typical bio-products with yeast as a cell-factory. Predictions are based on the ecYeastGEM model avaiable at ecModels.
https://github.com/sysbiochalmers/cellfactory-ecyeastgem

cell-factory constraint-based-modeling enzyme-constraints yeast

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Code and data for in silico strain design for enhanced production of +100 typical bio-products with yeast as a cell-factory. Predictions are based on the ecYeastGEM model avaiable at ecModels.

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README

        

# Yeast Cell Factory: Large-scale *in silico* strain design for enhanced production of +100 chemicals in *S. cerevisiae*

* Brief Model Description:

This repository contains the data and scripts necessary for _in silico_ strain design for enhanced production of +100 chemicals using an enzyme-constrained model of *S. cerevisiae's* metabolism.

* KeyWords:

**Category:** Constraint-based methods; **Utilisation:** predictive simulation, _in silico_ strain design; **Field:** cell factory _in silico_ design; Metabolic engineering **Model Source:** [yeast-GEM](https://github.com/SysBioChalmers/yeast-GEM),[ecYeastGEM](https://github.com/SysBioChalmers/ecModels); **Taxonomy:** _Saccharomyces cerevisiae_; **Metabolic System:** General Metabolism; enzyme constraints.

* Last update: 2021-04-21

## Product list:

* Note:
The predicted gene targets for the following bioproducts can be found in https://github.com/SysBioChalmers/CellFactory-ecYeastGEM/tree/dev/results/production_targets. For each bioproduct, the gene targets could be divided into three levels- L1, L2, and L3 based on the filtration steps in ecFactory (https://github.com/SysBioChalmers/ecFactory).”

| Name | Formula | KEGG ID | CHEBI ID | Group | class | Gene target |
|:-------:|:--------------:|:---------:|:----------:|:-----:|:-----:|:-----:|
| (R,R)-2,3-butanediol | C4H10O2 | C03044 | 16982 | native | alcohol | Link |
| 2-phenylethanol | C8H10O | C05853 | 49000 | native | alcohol | Link |
| glycerol | C3H8O3 | C00116 | 17754 | native | alcohol | Link |
| isoamylol | C5H12O | C07328 | 15837 | native | alcohol | Link |
| isobutanol | C4H10O | C14710 | 46645 | native | alcohol | Link |
| choline | C5H14NO | C00114 | 15354 | native | alkaloid | Link |
| hypoxanthine | C5H4N4O | C00262 | 17368 | native | alkaloid | Link |
| xanthine | C5H4N4O2 | C00385 | 17712 | native | alkaloid | Link |
| glutathione | C10H17N3O6S | C00051 | 16856 | native | amino acid | Link |
| L-alanine | C3H7NO2 | C00041 | 16977 | native | amino acid | Link |
| L-arginine | C6H14N4O2 | C00062 | 16467 | native | amino acid | Link |
| L-asparagine | C4H8N2O3 | C00152 | 17196 | native | amino acid | Link |
| L-aspartate | C4H7NO4 | C00049 | 17053 | native | amino acid | Link |
| L-citrulline | C6H13N3O3 | C00327 | 16349 | native | amino acid | Link |
| L-cysteine | C3H7NO2S | C00097 | 17561 | native | amino acid | Link |
| L-glutamate | C5H8NO4 | C00025 | 29985 | native | amino acid | Link |
| L-glutamine | C5H10N2O3 | C00064 | 18050 | native | amino acid | Link |
| L-glycine | C2H5NO2 | C00037 | 15428 | native | amino acid | Link |
| L-histidine | C6H9N3O2 | C00135 | 15971 | native | amino acid | Link |
| L-homoserine | C4H9NO3 | C00263 | 15699 | native | amino acid | Link |
| L-isoleucine | C6H13NO2 | C00407 | 17191 | native | amino acid | Link |
| L-leucine | C6H13NO2 | C00123 | 15603 | native | amino acid | Link |
| L-lysine | C6H15N2O2 | C00047 | 32551 | native | amino acid | Link |
| L-methionine | C5H11NO2S | C00073 | 16643 | native | amino acid | Link |
| L-phenylalanine | C9H11NO2 | C00079 | 17295 | native | amino acid | Link |
| L-proline | C5H9NO2 | C00148 | 17203 | native | amino acid | Link |
| L-serine | C3H7NO3 | C00065 | 17115 | native | amino acid | Link |
| L-threonine | C4H9NO3 | C00188 | 16857 | native | amino acid | Link |
| L-tryptophan | C11H12N2O2 | C00078 | 16828 | native | amino acid | Link |
| L-tyrosine | C9H11NO3 | C00082 | 17895 | native | amino acid | Link |
| L-valine | C5H11NO2 | C00183 | 16414 | native | amino acid | Link |
| ornithine | C5H13N2O2 | C01602 | 46912 | native | amino acid | Link |
| putrescine | C4H14N2 | C00134 | 326268 | native | bioamine | Link |
| spermine | C10H30N4 | C00750 | 45725 | native | bioamine | Link |
| Free fatty acids | nan | nan | nan | native | fatty acids and lipids | Link |
| laurate | C12H23O2 | C02679 | 18262 | native | fatty acids and lipids | Link |
| oleate | C18H34O2 | C00712 | 16196 | native | fatty acids and lipids | Link |
| palmitoleate | C16H29O2 | C08362 | 32372 | native | fatty acids and lipids | Link |
| succinate | C4H4O4 | C00042 | 30031 | native | fatty acids and lipids | Link |
| triacylglycerol | C6H5O6R3 | C00422 | 17855 | native | fatty acids and lipids | Link |
| guanine | C5H5N5O | C00242 | 16235 | native | nucleic acid | Link |
| thymidine | C10H14N2O5 | C00214 | 17748 | native | nucleic acid | Link |
| (S)-lactate | C3H6O3 | C00186 | 16651 | native | organic acid | Link |
| (S)-malate | C4H6O5 | C00149 | 15589 | native | organic acid | Link |
| 2-oxoglutarate | C5H6O5 | C00026 | 16810 | native | organic acid | Link |
| acetate | C2H4O2 | C00033 | 15366 | native | organic acid | Link |
| citrate | C6H8O7 | C00158 | 16947 | native | organic acid | Link |
| fumarate | C4H4O4 | C00122 | 18012 | native | organic acid | Link |
| glycolate | C2H4O3 | C00160 | 17497 | native | organic acid | Link |
| hexanoate | C6H12O2 | C01585 | 17120 | native | organic acid | Link |
| pyruvate | C3H3O3 | C00022 | 15361 | native | organic acid | Link |
| acetaldehyde | C2H4O | C00084 | 15343 | native | other | Link |
| urea | CH4N2O | C00086 | 16199 | native | other | Link |
| ergosterol | C28H44O | C01694 | 16933 | native | other | Link |
| L-phenylacetylcarbinol | C9H10O2 | nan | nan | heterologous | alcohol | Link |
| n-butanol | C4H10O | C06142 | 28885 | heterologous | alcohol | Link |
| (S)-Reticuline | C19H23NO4 | C02105 | 16718 | heterologous | alkaloid | Link |
| psilocybin | C12H17N2O4P | C07576 | 8614 | heterologous | alkaloid | Link |
| Nicotianamine | C12H21N3O6 | C05324 | 17721 | heterologous | amino acid | Link |
| 4-hydroxymandelic | C8H8O4 | C11527 | 16388 | heterologous | aromatic | Link |
| cinnamate | C9H8O2 | C00423 | 15669  | heterologous | aromatic | Link |
| mandelic | C8H8O3 | C01984 | 17756 | heterologous | aromatic | Link |
| p-coumaric acid | C9H8O3 | C00811 | 32374 | heterologous | aromatic | Link |
| rosmarinate | C18H16O8 | C01850 | 50371 | heterologous | aromatic | Link |
| Salidroside | C14H20O7 | C06046 | 9009 | heterologous | aromatic | Link |
| Tyrosol | C8H10O2 | C06044 | 1879 | heterologous | aromatic | Link |
| vanillinbetaglucoside | nan | nan | nan | heterologous | aromatic | Link |
| ARA | C20H32O2 | C00219  | 15843 | heterologous | fatty acids and lipids | Link |
| DHA | C22H32O2 | C06429 | 28125 | heterologous | fatty acids and lipids | Link |
| EPA | C20H30O2 | C06428 | 28364 | heterologous | fatty acids and lipids | Link |
| docosanol | C22H46O | D03884 | 31000 | heterologous | alcohol | Link |
| catechin | C15H14O6 | C06562 | 15600 | heterologous | flavonoid | Link |
| genistein | C15H10O5 | C06563 | 28088 | heterologous | flavonoid | Link |
| kaempferol | C15H10O6 | C05903 | 28499 | heterologous | flavonoid | Link |
| naringenin | C15H12O5 | C00509 | 17846 | heterologous | flavonoid | Link |
| quercetin | C15H10O7 | C00389 | 16243 | heterologous | flavonoid | Link |
| astaxanthin | C40H52O4 | C08580 | 40968 | heterologous | terpene | Link |
| betaxanthin | C18H18N2O7 | C08565 | 8341 | heterologous | terpene | Link |
| _-carotene | C40H56 | C02094 | 17579 | heterologous | terpene | Link |
| artemisinic acid | C15H22O2 | C20309 | 63749 | heterologous | terpene | Link |
| 3-hydroxypropanoate | C3H6O3 | C01013 | 16510 | heterologous | organic acid | Link |
| 3-hydroxypropanoate | C3H6O3 | C01013 | 16510 | heterologous | organic acid | Link |
| Adipic acid | C6H10O4 | D08839  | 30832 | heterologous | organic acid | Link |
| cis,cis-muconate | C6H6O4 | C02480 | 16508 | heterologous | organic acid | Link |
| Itaconic acid | C5H6O4 | C00490 | 17240 | heterologous | organic acid | Link |
| Ethylene | C2H4 | C06547 | 18153 | heterologous | other | Link |
| 1,3,5-trihydroxyxanthone | C13H8O5 | C10094 | 514 | heterologous | other | Link |
| glucagon | C153H225N43O49S | C01501 | 5391 | heterologous | protein | Link |
| Human Serum Albumin | nan | nan | nan | heterologous | protein | Link |
| hemoglobin | nan | C01708  | 5656 | heterologous | protein | Link |
| lactase | nan | EC 3.2.1.23 | nan | heterologous | protein | Link |
| _-Amylase | - | EC 3.2.1.1 | - | heterologous | protein | Link |
| resveratrol | C14H12O3 | C03582 | 27881 | heterologous | other | Link |
| alpha-Farnesene | C15H24 | C09665 | 10280 | heterologous | terpene | Link |
| amorphadiene | C15H24 | C16028 | 52026 | heterologous | terpene | Link |
| Geraniol | C10H18O | C01500 | 17447 | heterologous | terpene | Link |
| Limonene | C10H16 | C06078 | 15384 | heterologous | terpene | Link |
| linalool | C10H18O | C03985 | 17580 | heterologous | terpene | Link |
| lupeol | C30H50O | C08628 | 6570 | heterologous | terpene | Link |
| Oleanolic acid | C30H48O3 | C17148 | 37659 | heterologous | terpene | Link |
| patchoulol | C15H26O | C19755 | 7940 | heterologous | terpene | Link |
| protopanaxadiol | C30H52O3 | C20715  | 75950 | heterologous | terpene | Link |
| Santalene | C15H24 | C19736 | nan | heterologous | terpene | Link |
| _-Amyrin | C30H50O | C08616 | 10352 | heterologous | terpene | Link |
| _-ionone | C13H20O | C12287 | 32325 | heterologous | terpene | Link |
## Installation

### Required Software:

* A functional Matlab installation (MATLAB 7.3 or higher).
* The [RAVEN toolbox](https://github.com/SysBioChalmers/RAVEN)
* A [git wrapper](https://github.com/manur/MATLAB-git) added to the search path.

### Dependencies - Recommended Software:
* For Matlab, the [libSBML MATLAB API](https://sourceforge.net/projects/sbml/files/libsbml/MATLAB%20Interface/) (version 5.17.0 is recommended).
* [Gurobi Optimizer](http://www.gurobi.com/registration/download-reg) for any simulations.

### Installation Instructions
* For users: Clone it from [`master`](https://github.com/SysBioChalmers/CellFactory-yeast-GEM) in the Github repo, or just download [the latest release](https://github.com/SysBioChalmers/CellFactory-yeast-GEM/releases).
* For contributors: Fork it to your Github account, and create a new branch from [`devel`](https://github.com/SysBioChalmers/CellFactory-yeast-GEM/tree/devel).

## Contributing

Contributions are always welcome! Please read the [contributions guideline](https://github.com/SysBioChalmers/CellFactory-yeast-GEM/blob/master/.github/CONTRIBUTING.md) to get started.

## Contributors
* [Hongzhong Lu](https://www.sysbio.se/people/hongzhong-lu) ([@hongzhonglu](https://github.com/hongzhonglu)), Chalmers University of Technology, Gothenburg Sweden
* [Ivan Domenzain](https://github.com/IVANDOMENZAIN) ([@IVANDOMENZAIN](https://github.com/IVANDOMENZAIN)), Chalmers University of Technology, Gothenburg Sweden
* [Yao Lu](hhttps://www.sysbio.se/people/yao-lu), Chalmers University of Technology, Gothenburg Sweden