---
# System prepended metadata

title: AI Drug Design - Project- Screening FDA drug and analysis
tags: [NYCU]

---

# AI Drug Design - Project- Screening FDA drug and analysis
###### tags: `NYCU`

## Protein tyrosine phosphatase 1B
* PTPN1 Gene
### protein tyrosine phosphatase
* 蛋白酪氨酸磷酸酶(protein tyrosine phosphatase)的功能是去除蛋白上磷酸化酪氨酸的磷脂基團。蛋白酪氨酸磷酸化是一個常見的翻譯後修飾，能夠產生新的用於蛋白相互作用以及調節細胞內分布的識別位點，能夠影響蛋白的穩定性，也能夠調控酶的活性。正因如此，維持一個合適的蛋白酪氨酸磷酸化程度對很多細胞功能都是至關重要的。酪氨酸專一的蛋白磷酸酶(PTPase; EC 3.1.3.48)催化脫去酪氨酸上的磷脂基團，整個過程通過一個半胱氨酸-磷脂中間體達成。這些酶在信號轉導通路（比如MAP激酶通路）及細胞周期控制中是很關鍵的調控原件，它們在控制細胞生長、繁殖、分化以及轉化中也很重要。

## Motivation 
- Target: Diabetes Mellitus
  




## Structure and function
![](https://i.imgur.com/0f5hxFX.png)

- PTP1B is a negative regulator of the insulin signaling pathway and is considered a promising potential therapeutic target.
-  It has also been implicated in the development of breast cancer and has been explored as a potential therapeutic target in that avenue as well.
-  PTP1B can dephosphorylate the phosphotyrosine residues of the activated insulin receptor kinase.
-  In mice, genetic ablation of PTPN1 results in enhanced insulin sensitivity.(PTPN1的基因消融可增强胰岛素敏感性)
- 
## Mechanism
-  Activation of the IR is negatively regulated by PTP1B
![](https://i.imgur.com/wKHjUJF.png)

![](https://i.imgur.com/HXm7D2o.png)

## Clinical Significance
- PTP1B has clinical implications in the treatment of type 2 diabetes as well as cancer.(PTP1B在2型糖尿病和癌症的治疗中具有临床意义)
- PTPN1 knockout mice kept on high fat diets showed a resistance to obesity and an increased degree of insulin sensitivity as compared to their wild-type counterparts.(PTPN1基因敲除小鼠表现出对肥胖的抵抗力和更高的胰岛素敏感性)

## TEST
- asda
![](https://i.imgur.com/eC5rGVw.png)

## Reference
- [PTPN1 Structure](https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22parameters%22%3A%7B%22attribute%22%3A%22rcsb_polymer_entity.pdbx_description%22%2C%22operator%22%3A%22contains_phrase%22%2C%22value%22%3A%22PROTEIN%20(PROTEIN-TYROSINE%20PHOSPHATASE%201B)%22%7D%2C%22service%22%3A%22text%22%2C%22type%22%3A%22terminal%22%2C%22node_id%22%3A0%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22pager%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22src%22%3A%22ui%22%2C%22query_id%22%3A%22afcbeda2ded06d920149f92ccc9880d1%22%7D%7D)
- [Structure2](https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22parameters%22%3A%7B%22attribute%22%3A%22rcsb_polymer_entity.pdbx_description%22%2C%22operator%22%3A%22contains_phrase%22%2C%22value%22%3A%22PROTEIN%20(PROTEIN-TYROSINE%20PHOSPHATASE%201B)%22%7D%2C%22service%22%3A%22text%22%2C%22type%22%3A%22terminal%22%2C%22node_id%22%3A0%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22pager%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22src%22%3A%22ui%22%2C%22query_id%22%3A%22afcbeda2ded06d920149f92ccc9880d1%22%7D%7D)
- [Protein tyrosine phosphatase 1B (PTP1B) inhibitors as potential anti-diabetes agents: patent review](https://pubmed.ncbi.nlm.nih.gov/31402706/)
- [Molecular cloning and chromosome mapping of the human gene
encoding protein phosphotyrosyl phosphatase 1B]
- [Recent Advances in the Discovery of Competitive Protein Tyrosine Phosphatase 1B Inhibitors for the
Treatment of Diabetes, Obesity, and Cancer]
- [Protein Tyrosine Phosphatase 1B Inhibitors: A Molecular Level Legitimate Approach for the Management of Diabetes Mellitus](https://onlinelibrary.wiley.com/doi/abs/10.1002/med.20219)

- [Uniprot P31639](https://www.uniprot.org/uniprot/P31639)
- [Residue 259 is a key determinant of substrate specificity of protein-tyrosine phosphatases 1B and alpha](https://www.rcsb.org/structure/1GFY)