• Applied Biological Chemistry
• /
• v.41 no.8
• /
• pp.568-571
• /
• 1998

The conformations of human insulin precursors, proinsulin and preproinsulin, are described in terms of molecular dynamics simulations. Despite the presence of the C-peptide and/or the signal peptide, molecular dynamics calculations utilizing the hydration shell model over a period of 500 ps indicate that the native conformations of the A and B chains are well conserved in both cases. These results further support the NMR spectroscopy results that the C-peptide is relatively disordered and does not influence the overall conformation of the native structure. The robustness of the native structure as demonstrated by experiment and simulation will permit future protein engineering applications, whereby the expression or purification yields can be improved upon sequence modification of the C-peptide and/or the signal peptide.

• Bulletin of the Korean Chemical Society
• /
• v.26 no.5
• /
• pp.845-848
• /
• 2005

• Journal of Microbiology and Biotechnology
• /
• v.30 no.12
• /
• pp.1810-1818
• /
• 2020

Inhibitor K562 (IK) protein was first isolated from the culture medium of K562 cells, a leukemia cell line, and is an inhibitory regulator of interferon-γ-induced major histocompatibility complex class II expression. Recently, exogenous truncated IK (tIK) protein showed potential as a therapeutic agent for inflammation-related diseases. In this study, we designed a novel putative anti-inflammatory peptide derived from tIK protein based on homology modeling of the human interleukin-10 (hIL-10) structure, and investigated whether the peptide exerted inhibitory effects against pro-inflammatory cytokines such as IL-17 and tumor necrosis factor-α (TNF-α). The peptide contains key residues involved in binding hIL-10 to the IL-10 receptor, and exerted strong inhibitory effects on IL-17 (43.8%) and TNF-α (50.7%). In addition, we used circular dichroism spectroscopy to confirm that the peptide is usually present in a random coil configuration in aqueous solution. In terms of toxicity, the peptide was found to be biologically safe. The mechanisms by which the short peptide derived from human tIK protein exerts inhibitory effects against IL-17 and TNF-α should be explored further. We also evaluated the feasibility of using this novel peptide in skincare products.

• 한국생물공학회:학술대회논문집
• /
• 2005.04a
• /
• pp.510-510
• /
• 2005

• Proceedings of the Korea Multimedia Society Conference
• /
• 2000.11a
• /
• pp.571-574
• /
• 2000

오늘날 단백질 정보 분석은 HGP(Human Genome Project)이후 Post-genome 시대를 맞이하면서 매우 중요한 분야로 인식되고 있다. 이 단백질 정보를 이용하는 응용은 Discovery of Protein Structure/Function Relationships, Evolutionary Relationships, 3D Modeling 등 많은 분야에서 활용되어진다. 여러 가지 분야들 중에서 특히 단백질 구조 분석을 위한 많은 다양한 소프트웨어들이 출현되고 있다. 하지만 복잡하게 얽혀 있는 단백질들을 검증하기 위해서 Mass Spectrometry에서 발생되는 Peptide Masses의 정보들을 이용할 수 있다. 이에 본 논문에서는 Mass Spectrometry에서 생성된 Peptide Mass Map을 이용하여 기존의 단백질 Database에 있는 단백질들과 비교하는 자동화 단백질 검증 시스템 설계 및 구현에 관한 연구내용을 담고 있다. 이 시스템은 3-계층 중심으로 개발이 이루어지며 이 기종 시스템과의 원활한 통신 다중 계층의 환경에 있는 각 객체들간에 통신을 위해서 RMI 기반의 미들 웨어를 활용하기로 한다.

• Journal of Integrative Natural Science
• /
• v.10 no.3
• /
• pp.119-124
• /
• 2017

Glucagon-like peptide 2 receptor, a GPCR, binds with the glucagon-like peptide, GLP-2 and regulates various metabolic functions in the gastrointestinal tract. It plays an important role in the nutrient homeostasis related to nutrient assimilation by regulating mucosal epithelium. GLP-2 receptor affects the cellular response to external injury, by controlling the intestinal crypt cell proliferation. As they are therapeutically attractive towards diseases related with the gastrointestinal tract, it becomes essential to analyse their structural features to study the pathophysiology of the diseases. As the three dimensional structure of the protein is not available, in this study, we have performed the homology modelling of the receptor based on single- and multiple template modeling. The models were subjected to model validation and a reliable model based on the validation statistics was identified. The predicted model could be useful in studying the structural features of GLP-2 receptor and their role in various diseases related to them.

• Journal of Microbiology and Biotechnology
• /
• v.14 no.4
• /
• pp.881-884
• /
• 2004

Apoptosis inducers for cancer therapy have been studied. Among hundreds of inducers, peptide anticancer drugs have many advantages such as being not harmful to humans, high selectivity, and dependence on their structures. Naltriben (NTB) is an octapeptide consisting of DPhe-Cys-Tyr-DTrp-Orn-Thr-Pen-Thr-$NH_2$. Several NTB analogues are known. In this experiment, apoptotic activities of NTB analogues with 8 amino acids were tested using flow cytometry. The conformational study of NTB was carried out using NMR spectroscopy and molecular modeling. Here, the relationships between conformations of NTB analogues and their apoptotic effects are reported.

• Journal of Integrative Natural Science
• /
• v.10 no.2
• /
• pp.74-77
• /
• 2017

Bradykinin receptor B2 (B2R) is a GPCR protein which binds with the inflammatory mediator hormone bradkynin. Kallidin, a decapeptide, also signals through this receptor. B2R is crucial in the cross-talk between renin-angiotensin system (RAS) and the kinin-kallikrein system (KKS) and in many processes including vasodilation, edema, smooth muscle spasm and pain fiber stimulation. Thus the structural study of the receptor becomes important. We have predicted the peptide structures of Bradykinin and Kallidin from their amino acid sequences and the structures were docked with the receptor structure. The results obtained from protein-protein docking could be helpful in studying the B2R structural features and in the pathophysiology in various diseases related to it.

• Journal of the Korean Magnetic Resonance Society
• /
• v.1 no.2
• /
• pp.71-78
• /
• 1997

The magnetic anisotropy effects of peptide group in structured protein on proton chemical shift have been investigated using trialanine modeling. The structure dependent part of chemical shift of C${\alpha}$H of the second amino acid residue was assumed to come purely from the magnetic anisotropy effects of C=O and C-N bonds of peptide in the direct neighborhood and thus to be dependent on and $\psi$ angle of this dipeptide. A set of dipeptide models with different and $\psi$angles were generated and from these models the chemical shift values were calculated using known algorithm to emphasize the role of parameters used in the equation. Comparison of sets of different parameters resulted in an optimized parameters which could reproduce the statistical chemical shift values observed in proteins with respect ot the secondary conformation.

• Bulletin of the Korean Chemical Society
• /
• v.17 no.2
• /
• pp.182-188
• /
• 1996

Early attempts to identify plausible conformations of a linear octapeptide hormone, angiotensin-II (Asp-Arg-Val-Tyr-Ile-His-Pro-Phe), using various theoretical and experimental methods, have led to various conformational models. So far, no consensus has been made about the solution phase structure and the receptor binding structure of angiotensin-II. The ultimate goal for the conformation study of the peptide hormone is to develop a new potent drug. Therefore, we have devised a strategy for designing the pharmacophore by studying thermodynamically possible conformations of various kinds of angiotensin-II antagonists and angiotensin-II.