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In Silico screening for potential Developmentally Regulated

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Abstract
Developmentally regulated GTP-binding protein 2 (DRG2) is involved in various physiological
functions. There are currently no reports on the role of DRG2 in cellular metabolisms. To get
insights into the role of DRG2 in metabolism, we analyzed the interactions between DRG2, and
420 metabolites collected from the Human Metabolome Database (HMDB) by computational
docking studies. In silico molecular docking analysis identified 37 metabolites showing binding
energy with DRG2 higher than GTP (-6.9 kj\mole). Most of them were involved in steroid
hormone metabolism. We also determined the amino acid residues of DRG2 involved in the
interaction with these metabolites. We demonstrated that some metabolites share amino acid
residues of DRG2 for their binding with GTP, suggesting that these metabolites may compete with
GTP for binding with DRG2 and thus affect DRG2 activity. BioMuta (a database of cancerassociated
single-nucleotide variations) analysis revealed variations within the amino acid residues
of DRG2 responsible for binding with these metabolites in human cancer cells. These suggest that
DRG2 may interact with hormones and play important roles in the regulation of hormone
metabolism and that disruption of these interactions may affect the growth and metastasis of cancer
cells.
Author(s)
나이마 자나툴
Issued Date
2020
Awarded Date
2020-08
Type
Dissertation
Keyword
MS thesis submission to the library
URI
https://oak.ulsan.ac.kr/handle/2021.oak/6209
http://ulsan.dcollection.net/common/orgView/200000336121
Alternative Author(s)
Naima, Jannatul
Affiliation
울산대학교
Department
일반대학원 생명과학전공
Advisor
Jeong Woo PARK
Degree
Master
Publisher
울산대학교 일반대학원 생명과학전공
Language
eng
Rights
울산대학교 논문은 저작권에 의해 보호받습니다.
Appears in Collections:
Life Science > 1. Theses (Master)
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