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Showing posts from November, 2021

Thai Tastes X Metabolomics

  Thai Tastes X Metabolomics -- Zoom ( Thailand Metabolomics Society ) 20-Nov-2021 DuriOmics: model for orchards Thailand is the biggest exporter in the market. China is the biggest buyer, however, the country has opened for other countries to export durian. The team collected from the blooming period to become the fruits. They also take advantage of fruit waste to make any valuable products. They also do genome sequencing of 30 cultivars of durian. They are interested in circular economy plus synthetic biology for producing the high value compounds. They also want to develop biomarkers for breeding the durians. Nam-dok-mai wine:  during fermentation and storage They want to make wine because they want to add up the value of nam dok mai mango as some may know the mangoes have a short shelf life. They want to take a look at flavouromics during the wine fermentation of mango. Nutriomics-Flavouromics-Odouromics -- fermented fish Fermented fish vs cholangiocarcinoma Time for fish ...

Molecular descriptor

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  Ref: Molecular Descriptors for Chemoinformatics Volume II: Appendices, References QSAR มีที่มาจากงานในกลุ่มของพิษวิทยา เพื่อที่จะหาความสัมพันธ์ระหว่างโครงสรา้งของสารเคมี กับ potent toxicity ซึ่งมันบันทึกอยู่ในเอกสารประมาณ 100 กว่าปีแล้ว เช่น มีการสังเกตว่า primary aliphatic alcohol which soluble in water มีพิษต่อคน ซึ่งเป็นการหาความสัมพันธ์ระหว่าง molecular structure+property = toxicity Crum-Brown and Fraser (1868-1869) พยายามหาสัมพันธ์ระหว่าง function (f) of its chemical constitution (c) vs physiological action of a substance in a certain biological system  (Φ)                                                                       Φ...

PST-16

Original link:   https://science.mahidol.ac.th/pst2021/viweposter.php  17-Nov-2021 Engineered decoy receptor He wants to block the interaction between spike protein of virus + host dimeric ACE2 His lab  perform thousand of mutagenesis of ACE2 decoy -- to inhibit the interaction He expressed the decoy with different mutations on the human cell lines Screening for the one having the high affinity to viral spike protein Picking up the one containing high affinity and run molecular dynamics simulation to explain the interaction between the engineered decoy and viral protein One thing that they learn is that the sequence which responsible for host ACE2 binding is diverse but the structural conformation is the same He also performed the viability assay with the mouse expressing hACE2 Developing the inhibitor toward SARS-CoV-2 main protease He collaborated with computational chemistry in order to understand the interaction between protein and drug He wants to get the new inhibit...

Python commands

Markdown for jupyter notebook https://www.ibm.com/docs/en/db2-event-store/2.0.0?topic=notebooks-markdown-jupyter-cheatsheet All about pip pip install  #to install the pck pip list  #to list the installed pck Import os os.chdir(r'copy the path from window')  #to change directory Import matpltlib plt.savefig('file_name.tif')  #to save figure