• 통합자연과학논문집
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• 제6권3호
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• pp.138-142
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• 2013

The HIV-1 envelope glycoprotein gp120 plays a vital role in the entry of the virus into the host cells. The crucial role of the glycoprotein suggests gp120 as potential drug target for the future antiviral therapies. Identification of the binding mode of small drug like compounds has been an important goal in drug design. In the current study we attempt to propose binding mode of indole derivatives in the binding pocket of gp120. These derivatives are reported to inhibit HIV-1 by acting as attachment inhibitors that bind to gp120 and prevent the gp120-CD4 interaction and thus inhibit the infectivity of HIV-1. To elucidate the molecular basis of the small molecules interactions to inhibit the glycoprotein function we employed the molecular docking simulation approach. This study provides insights to elucidate the binding pattern of indole-based gp120 inhibitors and may help in the rational design of novel HIV-1 inhibitors with improved potency.

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 1997년도 가을 학술발표회 논문집
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• pp.281-286
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• 1997

Recent construction activities and maintenance of marine facilities have been accelerating to keep up with rapid economic growth in Korea. Marine concrete structures are exposed to salts an chloride from ocean environments. The corrosion of reinforcement steel caused by chloride-penetration into concrete may severely effect the durability of concrete structures. The objective of this research is to develop a durable concrete by investigating the corrosion resistance of various corrosion protection systems utilizing different water/cement ratio, silica fumes, corrosion inhibitors and etc. A tow-year verification test on various corrosion protection systems has been doing in the laboratory and at the seaside. Corrosion investigations on reinforcement steel are now under progress for more than 180 concrete specimen. Corrosion-related measurements include macrocell corrosion current, instant-off voltage between corroding and noncorroding reinforcement, chloride contents, the corroded surface areas on the reinforcement steel, and etc. A low level of corrosion is investigated on reinforcement steels in concrete specimen made with corrosion inhibitors or applied aqueous impregnating corrosion inhibitors into their surface, even though high chloride contents of concrete specimen.

• Journal of Microbiology and Biotechnology
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• 제12권5호
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• pp.829-833
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• 2002

Angiogenesis is an essential event in a variety of physiological and pathological processes. Therefore, effective inhibition of this event is a promising strategy for treating angiogenesis-related diseases, including cancer. The current study investigated two unique bafilomycin-type macrolide inhibitors of angiogenesls, PC-766B' (1) and PC-766B (2). The strain RK97-56 which produced the inhibitors was identified as Nocardia sp. by chemotaxonomic analyses, and the purification of the inhibitors was guided by their anti-angiogenic activities. PC-766B' (1) and PC-766B (2) exhibited potent inhibitory activities towards endothelial cell migration stimulated by the vascular endothelial growth factor (VEGF).

• 통합자연과학논문집
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• 제4권4호
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• pp.266-272
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• 2011

Focal adhesion kinase (FAK) is a potential target for the treatment of primary cancers as well as prevention of tumor metastasis. To understand the structural and chemical features of FAK inhibitors, we report comparative molecular field analysis (CoMFA) for the series of 7H-pyrrolo(2,3-d)pyrimidines. The CoMFA models showed good correlation between the actual and predicted values for training set molecules. Our results indicated the ligand-based alignment has produced better statistical results for CoMFA ($q^2$ = 0.505, $r^2$ = 0.950). Both models were validated using test set compounds, and gave good predictive values of 0.537. The statistical parameters from the generated 3D-QSAR models were indicated that the data are well fitted and have high predictive ability. The contour map from 3D-QSAR models explains nicely the structure-activity relationships of FAK inhibitors and our results would give proper guidelines to further enhance the activity of novel inhibitors.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3772-3776
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• 2012

Mitogen-activated protein kinase phosphatase 4 (MKP4) has proved to be a promising target for the development of therapeutics for the treatment of diabetes and the other metabolic diseases. Here, we report an example for a successful application of the structure-based virtual screening to identify three novel inhibitors of MKP4. These inhibitors have desirable physicochemical properties as a drug candidate and reveal a moderate potency with $IC_{50}$ values ranging from 4.9 to $32.3{\mu}M$. Therefore, they deserve consideration for further development by structure-activity relationship studies to optimize the inhibitory and antidiabetic activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of MKP4 are discussed in detail.

• 한국생물물리학회:학술대회논문집
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• 한국생물물리학회 2001년도 학술 발표회 진행표 및 논문초록
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• pp.30-30
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• 2001

Since anti-angiogenesis could lead to the suppression of tumor growth, angiogenesis inhibitors have received particular attention for their therapeutic potential. In this study, two angiogenic inhibitors using the bioactive sequence from the kringle 5, AK1(KLYDY), AK2(KLWDF) were designed and synthesized. We have investigated their solution structures using NMR spectroscopy and their activities as angiogenesis inhibitors.(omitted)

• 한국자원식물학회지
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• 제7권1호
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• pp.1-5
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• 1994

To decrease the bolting rate of Angelica gigas, The growth inhibitors such as MH, Pp333 (paclobutrazol) and CCC(chloroniequat or Cycocel) were treated twice with the interval of 20 days atthe forming stage of flower bud.Growth and bolting rate in plot treated inhibitors were retarded and decreased, and the yield ofroots was also decreased compared with non - treatment. The treatments of MH and Pp333 amongthree inhibitors showed the better effects in decreasing the bolting than that of CCC, but they did notshow the significant in the yield and contents of decursin among each of them.In order to improve the decreasing effects by chemicals, selection of suitable reagents, concentrationand number of treatment should be investigated.

• Archives of Pharmacal Research
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• 제21권5호
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• pp.527-530
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• 1998

The antibacterial activity of novel ${\beta}$-lactamase inhibitors, 6-exomethylene penamsulfones (CH1240, CH2140), has been compared in vivo with that of sulbactam and clavulanic acid against b-lactamase producing strains. In vivo microbiological assessment was used as experimental mouse infection model by gram negative strains. Against Pseudomonas aeruginosa F0013, cefoperazone/CH 1240 was slightly less active than sulbactam. ampicillin/CH 2140 was less effective than sulbactam against escheriachia coli 3457. Especially against Citrobacter diversus 2046E, amoxicillin/CH 2140 was the most potent and amoxicillin/CH 1240 was slightly more active than clavulanic acid. consequently the difference in efficacy between the drug combinations appers to be related to the degree of protection afforded the animals by the b-lactamasse inhibitors. CH1240 and CH2140 are promising new agents and should undergo further investigations.

• Archives of Pharmacal Research
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• 제10권2호
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• pp.103-109
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• 1987

To find microorganisms producing esterase inhibitors, microbes were isolated from soil samples that were collected at different locations in Korea and screened for inhibitory activities. One of the inhibitor-producing strains was named strain DMC-498. This strain was found to be a new species of the genus Streptomyces by comparison with the characteristics of morphology and metabolisms of the other species of the genus.

• 통합자연과학논문집
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• 제11권1호
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• pp.19-24
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• 2018

CRFR is involved in the pathophysiology of various disorders including depression, stress, anxiety, post-traumatic stress disorder, and addiction. The discovery of novel and structurally diverse CRF1 receptor inhibitors becomes essential. In this study, we have performed molecular docking of CRF1R with the derivatives of 8-substituted-2-aryl-5-alkylaminoquinolines as CRF1R inhibitors. The antagonist molecules were optimized and docked into the binding site of the receptor. On analysing the docked complexes we have identified that the residues HIS214, THR215, ARG227, ARG1008, LYS1060 and ASP1061 are important in forming hydrogen bond with the inhibitors. Further studies on these residues could reveal important structural features required for the formation of CRF1R-inhibitor complex and thus in the discovery of novel and potent inhibitors.