• Journal of Applied Biological Chemistry
• /
• v.54 no.1
• /
• pp.56-62
• /
• 2011

Molecular docking of polyhydroxy substituted flavone analogues (1-25) as substrate molecules to the active site of tyrosinase (PDB ID: Deoxy-form (2ZMX) & Oxy-form (1WX2)) and Free-Wilson analysis were studied to understand the roles of hydroxyl substituents ($R_1-R_9$) in substrate molecules for the tyrosinase inhibitory activation. It is founded from Free-Wilson analysis that the $R_1$=hydroxyl among $R_1-R_9$ substituents had the strongest influence on the tyrosinase inhibitory activity. H-bonds between the hydroxyl substituents of substrate molecules and amino acid residues in the active site of tyrosinase were contributed to make a stable substrate-receptor complex compound. Particularly, it is proposed from the findings that the noncompetitive inhibitory activation would take place via H-bonding between peroxide oxygen (Per404) atom in the active site of tyrosinase and the hydroxyl substituents in substrate molecule.

• Polymer(Korea)
• /
• v.35 no.2
• /
• pp.119-123
• /
• 2011

To develop hyaluronic acid (HA)-based anticancer agent carrier, hyaluronic acid was chemically modified with the hydrophobic group of deoxycholic acid(DA). The physicochemical properties of the deoxycholic acid-conjugated HA (HADA) were investigated by using $^1H$ NMR, FTIR spectrophotometer and TEM. Paclitaxel (Tx)-loaded HADA nanoparticles were prepared by a dialysis method. The loading efficiency of drug and drug contents of Tx-loaded HADA nanoparticles (HADA-Tx) were measured by HPLC. The anticancer activity of HADA-Tx was investigated by its cytotoxicity against KB cell in vitro. The HADA-Tx was shown to have the superior potential for the anticancer drug delivery.

• Journal of the Society of Cosmetic Scientists of Korea
• /
• v.39 no.4
• /
• pp.329-335
• /
• 2013

Three-dimensional quantitative structure-activity relationships (3D-QSARs) models between the substituents with changing groups ($R_1$ & $R_2$) of 4-hydroxybenzyl alcohol (4-HBA) derivatives as substrate molecule and their inhibitory activities against tyrosinase were derived and discussed quantitatively. The optimized CoMSIA FF model showed the best predictability and fitness ($r^2$ = 0.858 & $q^2$ = 0.951). The contour maps of the optimized CoMSIA FF model showed that, the inhibitory activities of the analogues against tyrosinase were expected to increase when hydrophobic (Hy) favor, negative charge (E) favor, steric (S) disfavor and hydrogen bond donor (HD) disfavor groups were substituted at the $R_2$ position. When the hydrogen bond donor (HD) favor groups were substituted at the $R_1$ position, it is predicted that the substituents will be able to increase the inhibitory activity.

• Journal of the Korean Chemical Society
• /
• v.64 no.6
• /
• pp.350-353
• /
• 2020

The validity of the calculation method based on the local mode in hydrogen-bonded water molecules was investigated by comparing the frequencies of the local and normal modes of OH stretching vibration in water molecules. By calculating a monomer, dimer, and trimer of water molecules using a quantum chemical ab initio theory, we examined how the frequencies of the local and normal modes and the anharmonicity of local modes vary with molecular cluster size. It was shown that, as the number of molecules increases from monomer to trimer, the anharmonicity of OH bonds increases and the difference between local and normal mode frequencies decreases. This confirms that local-mode-based calculations that can easily handle the anharmonicity can be appropriate for the calculation of the OH stretching frequency of water molecules in the condensed phase.

• Membrane Journal
• /
• v.31 no.3
• /
• pp.184-199
• /
• 2021

As a branch of covalent organic frameworks (COF), covalent triazine frameworks (CTF) are inherently porous structures composed of networks of repeating hexagonal triazine rings fabricated via the ionothermal trimerization reaction. They also contain plenty of nitrogen functional groups that increase affinity for some chemicals while rejecting others. Because of their tunable properties, many researchers have synthesized and tested CTFs for gas and liquid separation processes. Various studies of novel CTFs, mixed CTF composites, and CTF membranes have experimented for gas adsorption/separation (e.g., CO₂, C₂H₂, H₂, etc.) and desalination. Some CTF studies have determined the limits and potentials through advanced computer simulations while subsequent experiments have tested CTFs for photocatalytic properties, suggesting recyclability for greater sustainability. In this review, the covalent triazine framework-based separation membrane is discussed.

• Proceedings of the Korean Information Science Society Conference
• /
• 2003.10b
• /
• pp.814-816
• /
• 2003

오늘날 핵산과 단백질의 결합체에 관한 자료가 PDB(Protein Data Bank)와 같은 공공 데이터베이스에 급속도로 증가되고 있고 하나하나의 자료 자체도 많은 양의 데이터를 가지고 있기 때문에 더 이상 수작업으로 이를 분석하기란 거의 불가능할 뿐 아니라 정확도에 많은 문제가 있다. 그래서 본 연구에서는 방대한 생물학 자료를 효율적으로 분석하기 위해 자동화된 알고리즘을 개발하여 수작업에 의존하던 기존방식을 개선하였다. 이 알고리즘으로 51개의 RNA와 단백질간의 결합구조로 구성된 Dataset과 129개의 DNA와 단백질 간의 결합구조로 구성된 Dataset 분석하여 각각의 경우에 있어서의 결합성향과 결합유형을 찾아내었다. 이러한 본 연구의 결과가 아직 구조가 밝혀지지 않은 단백질-핵산간의 결합부위를 예측하는 알고리즘 개발에 기초 자료로 이용될 수 있다. 신약을 개발하는 과정에서 표적단백질의 결합부위를 예측하는데 활용될 수 있을 것이다.

• Analytical Science and Technology
• /
• v.23 no.6
• /
• pp.537-543
• /
• 2010

Dopamine (DA) is an important neurotransmitter molecule of catecholamines. Its deficiency could lead to brain disorder such as Parkinson's disease and schizophrenia. Therefore, it is necessary to establish a suitable analytical technique with sensitivity and simplicity. A competitive enzyme-linked immunosorbent assay for DA has been optimized and characterized. Assay sensitivity is controlled by two factors in competitive immunoassay. One is a nature and concentration of competitor, and the other is those of binder, antibody. Thus, optimization was performed: BSA-DA conjugate and antibody-avidin conjugate were prepared by dual heterobifunctional coupling method using SATA and SMCC. Assay condition was optimized with $6.66\;{\mu}gmL^{-1}$ of BSA-DA and $4.17{\times}10^{-10}\;M$ of antibody-avidin conjugate. A dose-response curve was constructed, and a limit of detection and a dynamic range for DA were accomplished to $2.3{\times}10^{-2}\;{\mu}g\;mL^{-1}$ and four orders of magnitude ($1.0{\times}10^{-7}\;M$ to $1.0{\times}10^{-3}\;M$), respectively. Calibration curve was constructed on dynamic range and least-squares regression of this data gave the following relationship: absorbance = -0.1098 log[DA]+0.0353 ($R^2$ = 0.9956).

• Journal of Life Science
• /
• v.30 no.1
• /
• pp.10-17
• /
• 2020

Kinesin-1 is microtubule-dependent plus-end direct molecular motor protein essential for intracellular transport. It is a member of the kinesin superfamily proteins (KIFs) which transport cargo, including organelles, vesicles, neurotransmitter receptors, cell-signaling molecules, and protein complexes through interaction between its light chain subunit and the cargo. Kinesin light chain 1 (KLC1) is a non-motor subunit that associates with the kinesin heavy chain (KHC). Although KLC1 interacts with many different adaptor proteins and scaffolding proteins, its binding proteins have not yet been fully identified. We used the yeast two-hybrid assay to identify proteins that interact with the tetratricopeptide repeat (TPR) domain of KLC1, and found an interaction between KLC1 and EH domain-binding protein 1 like 1 (EHBP1L1). EHBP1L1 bound to the region containing all six TPR repeats of KLC1 and did not interact with KIF5B (a motor protein of kinesin 1) or KIF3A (a motor protein of kinesin 2) in the yeast two-hybrid assay. The carboxyl-terminus of the coiled-coil domain of EHBP1L1 is essential for interaction with KLC1. However, another EHBP1L1 isoform, EHBP1, did not interact with KLC1 in the yeast two-hybrid assay. KLC1 interacted with GST-EHBP1L1 and its coiled-coil domain but not with GST only. When co-expressed in HEK-293T cells, EHBP1L1 co-localized with KLC1 and co-immunoprecipitated with KLC1 and KIF5B but not KIF3A. These results suggest that kinesin 1 motor protein may transport EHBP1L1-associated cargo in cells.

• Proceedings of the Korean Society of Applied Pharmacology
• /
• 1994.04a
• /
• pp.273-273
• /
• 1994

Renin-angiotensin system(RAS)의 기능억제에 의한 고혈압치료제 개발연구는 ACE억제제와 target organ에서의 AII의 수용체 특히 AT1 type의 길항제가 유망한 것으로 보여 현재 전세계적으로 활발한 연구가 진행되고 있으며 우리나라에서도 AII수용체의 길항제 개발연구가 가장 활발히 추진되고 있다. AII수용체의 길항제 개발연구를 위해서는 신속, 정확한in vitro, in vivo검색방법의 확립이 가장 중요하며, 특히 많은 대상물질을 신속하고 효과적으로 검색하는 in vitro screening, 즉 AII 수용체 결합율 시험방법의 확립이 일차적인 과제이다.

• The Korean Journal of Zoology
• /
• v.7 no.2
• /
• pp.19-24
• /
• 1964

1. 배추벌레를 써서 성충안의 원추체의 기원과 그 형성에 관한 조직학적 연구를 하는 동시에 원추체의 조직화학적 분석을 하였다. 2. 조기용의 시판 연변에 왕성하게 세포분열을 일으키는 곳이 두군데 있다. 하나는 시판의 내연에 있어서 원추체세포를 만들어내고 또하나는 외연에 있어서 망막세포들을 형성한다. 3. 원추체는 척추동물의 각막과 마찬가지로 mucopolysaccharide-protein complex 로 되어 있다. 4. 원추체세포속 polysaccharides 는 처음에는 가용상태로 원추체 속에 분필되나 후에 중합과 단백질의 결합으로 불용상태로 된다.