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Molecular docking analysis of human JAK2 with compounds from tomatoes
Umapathy Vidhya Rekha1, M Anita1, S Bhuminathan2
1Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai 600 100, India.
Bioinformation
|October 22, 2021
Summary
Compounds from tomatoes show potential for targeting Janus kinase 2 (JAK2), a protein linked to oral cancer. Molecular analysis identified five compounds with optimal binding features for further research into oral cancer treatment.
Area of Science:
- Biochemistry
- Molecular Biology
- Oncology
Background:
- Janus kinase 2 (JAK2) is a key tyrosine kinase receptor in the JAK family.
- Aberrant JAK2 signaling is implicated in the development and progression of oral cancer.
Purpose of the Study:
- To investigate the molecular binding interactions between JAK2 and compounds derived from tomatoes.
- To identify potential natural compounds for therapeutic strategies against oral cancer.
Main Methods:
- Molecular docking analysis was performed.
- Twenty-three tomato-derived compounds were screened for binding affinity to JAK2.
Main Results:
- Five compounds exhibited optimal binding characteristics with JAK2.
- Rutin, quercetin, naringenin, chlorogenic acid, and kaempferol were identified as promising candidates.
Conclusions:
- Tomato-derived compounds, particularly rutin, quercetin, naringenin, chlorogenic acid, and kaempferol, show significant potential for JAK2 inhibition.
- These findings support further investigation of these compounds as novel therapeutic agents for oral cancer.
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