Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods | |
Wang, P (Wang, Pu)[ 1 ]; Zhang, R (Zhang, Rui)[ 2,3 ]; Yu, SB (Yu, Shunbang)[ 1 ]; Lee, C (Lee, Charles)[ 4 ]; Wang, H (Wang, He)[ 1 ] | |
刊名 | JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES |
2020 | |
卷号 | 83期号:1页码:1-8 |
关键词 | Homology modeling ligand docking binding sites olfactory receptor lyral |
ISSN号 | 1528-7394 |
DOI | 10.1080/15287394.2019.1706269 |
英文摘要 | Olfactory receptor (OR) genes are extensively distributed throughout the human organism. Although these receptors are predominantly located in the olfactory epithelium, binding between odorant chemicals and corresponding ORs initiates downstream events in other tissues. In particular, exposure to allergen fragrances results in the induction of contact dermatitis. At present, current methodologies are limited in their ability to predict the consequences of fragrancy chemicals on humans. The aim of this study was designed to simulate the bindingstructure between lyral and OR10J5, a known allergen which produces contact dermatitis, and its corresponding OR OR10J5 in an effort to predict dermal outcomes using computational methods. Results demonstrated that binding between lyral and OR10J5 involved amino acid residues Phe104, Val105, Cyx178, Ile180, and Tyr258, respectively, which were located on binding sites of the receptor transmembrane 3(TM3), TM3, extracellular loop 2(EL2), EL2, TM6. Evidence indicates that computer simulating binding interactions occurred between an odorant chemical and its receptors which initiated downstream alterations accounting possibly for the observed in vivo contact dermatitis. |
内容类型 | 期刊论文 |
源URL | [http://ir.xjipc.cas.cn/handle/365002/7230] |
专题 | 新疆理化技术研究所_多语种信息技术研究室 |
作者单位 | 1.Univ Newcastle Singapore Campus, Sch Hlth Sci, Singapore, Singapore 2.Univ Chinese Acad Sci, Beijing, Peoples R China 3.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Lab Minor Speech & Language Informat Pro, Urumqi, Peoples R China 4.Univ Newcastle, Sch Hlth Sci, Newcastle, NSW, Australia |
推荐引用方式 GB/T 7714 | Wang, P ,Zhang, R ,Yu, SB ,et al. Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods[J]. JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES,2020,83(1):1-8. |
APA | Wang, P ,Zhang, R ,Yu, SB ,Lee, C ,&Wang, H .(2020).Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods.JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES,83(1),1-8. |
MLA | Wang, P ,et al."Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods".JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES 83.1(2020):1-8. |
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