• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2428-2432
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• 2011

A series of new 4-aryl-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-diones have been synthesized via three component reaction of 1,3-dimethylbarbituric acid with arylglyoxals in the presence of hydrazinium dihydrochloride in ethanol. All of these derivatives may act as potential monoamine oxidase inhibitors.

• Bulletin of the Korean Chemical Society
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• v.29 no.2
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• pp.323-327
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• 2008

A focused library of pyrazole-based compounds was constructed towards novel transcription factor inhibitors. Complementary hydrogen bonding interaction with b-sheet peptide structures was the basis for the design of 5-amino-3-pyrazole carboxamide scaffold. From the preliminary inhibition assay against several transcription factors, compounds 7e and 8g were identified as novel lead compounds against HIF-1a and NF-AT transcription factors, respectively.

• Journal of the Korean Chemical Society
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• v.13 no.1
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• pp.13-15
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• 1969

This investigation is to make comparative evaluation of the corrosion inhibiting effects of quinoline, oxine and 7-nitroso 8-hydroxy quinoline (7NHQ). In case of quinoline, and oxine, since the N atom in them functions as cation, the process involved is assumed to be cathode control. On the other hand 7-NHQ was found to form a stable chelate compound with $Fe^{++}$ ion in acidic solution and shows as anode control predominantly. After plotting polarization curves, Tafel parameters were calculated in each solution involving the inhibitors, at the same time corrosion inhibiting effects were separately measured and compared from data of both corrosion current and analytical method.

• Bulletin of the Korean Chemical Society
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• v.17 no.1
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• pp.34-38
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• 1996

2-(Azetidin-2-one-1-yl)-3-phenylpropionic acid and 2-(azetidin-2-thione-1-yl)-3-phenylpropionic acid were designed as potential active site directed inactivators for carboxypeptidase A, but shown to be they are competitive reversible inhibitors for the enzyme. The observation was somewhat surprising, but is not unexpected considering the recent report of Page who questioned the validity of the generally believed notion that $\beta-lactam$ ring is highly unstable.

• Bulletin of the Korean Chemical Society
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• v.22 no.11
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• pp.1217-1223
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• 2001

A series of benzimidazole derivatives containing oxycyclic pyridine was prepared and evaluated for their gastric H+ /K+ -ATPase inhibitory activity. Several of the synthesized compound exhibited potent antisecretion in pylorus-ligated rats when administered intradoudenally. Their inhibitory activities were equivalent or comparable to omeprazole.

• KSBB Journal
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• v.24 no.5
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• pp.415-419
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• 2009

In this study, the detoxification methods were evaluated for the removal of fermentation inhibitors from synthetic solution containing the composition similar to the lignocellulosic hydrolysate. The enzyme peroxidase and laccase were used as a biological treatment method. The physico-chemical methods such as adsorption and ion exchange were applied by using activated charcoal and ion exchange resins. The enzyme peroxidase showed a excellent removal of phenolic compounds. The 5-HMF and furfural were completely removed by activated charcoal. The anion exchange resin showed a good result for detoxification of acetic acid. The activated charcoal and ion exchange resins lead to a loss of sugars more or less. The choice of detoxification method must be made after considering the composition and inhibitors in hydrolysates.

• Bulletin of the Korean Chemical Society
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• v.28 no.4
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• pp.561-566
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• 2007

Adenosine kinase (AK) is a ubiquitous intracellular enzyme, which catalyzes the phosphorylation of adenosine (ADO) to adenosine monophosphate (AMP). AK inhibitors have therapeutic potential as analgesic and antiinflammatory agents. A chemical feature based pharmacophore model has been generated from known AK inhibitors (26 training set compounds) by HypoGen module implemented in CATALYST software. The top ranked hypothesis (Hypo1) contained four features of two hydrogen-bond acceptors (HBA) and two hydrophobic aromatics (Z). Hypo1 was validated by 124 test set molecules with a correlation coefficient of 0.905 between experimental and estimated activity. It was also validated by CatScramble method. Thus, the Hypo1 was exploited for searching new lead compounds over 238,819 chemical compounds in NCI database and then the selected compounds were screened based on restriction estimated activity and Lipinski's rules to evaluate their drug-like properties. Finally we could obtain 72 new lead candidates and the two best compound structures from them were posted.

• Magazine of the Korea Concrete Institute
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• v.10 no.6
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• pp.325-333
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• 1998

Under the seawater environment, the reinforced concrete structure is deteriorated due to physical and chemical attacks. The main deterioration mechanism is the chloride corrosion of reinforcing steel. The corrosion inhibitors have been used to protect the rebars from corrosion which are susceptible to chlorides in concrete. However, there is not clear conclusion about corrosion inhibitors yet. In this study, it is made the accelerated experiment with 3 kinds of corrosion inhibitors for various chloride ingresses. It is estimated corrosion inhibitors that inhibitors by Half-Cell Potential, corrosion area ratio and weight loss ratio. It is concluded that inhibitors are not effective to corrosion inhibition for excessive chloride ingress. However, the effect of inhibition is directly proportional ot contents of corrosion inhibitors in some chloride ingress.

• Environmental Engineering Research
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• v.17 no.1
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• pp.17-25
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• 2012

Concern about green water problem has surfaced as a serious issue in Korea. In order to solve this problem, it is necessary to research inhibition of green water and corrosion control of copper pipe in water service. This paper discovered that moderate corrosion inhibitors can solve the green water problem and copper corrosion in water service by adding the optimal concentration of corrosion inhibitors based on regulation. Firstly, in the case of phosphate based corrosion inhibitors, as dosage of the corrosion inhibitor increases from 1 mg/L to 5 mg/L, the relative effect of corrosion inhibitor declines rapidly. Secondly, except for 1 mg/L dosage of silicate based inhibitor, relative effects of the inhibitor displays a positive number depending on inhibitor concentration. The most significant result is that the amount of copper release shows a downward trend, whereas the phosphate based inhibitor accelerates copper ion release as the inhibitor dosage increases. Thirdly, as the dosage of mixed inhibitors increases to 10 mg/L, the copper release change shows a similar trend of phosphate based inhibitor. Lastly, according to the Langelier saturation index (LI), silicate based inhibitors have the most non corrosive value. Larson ratio (LR) indicates that phosphate based inhibitors are the least corrosive. Korea water index (KWI) represents that silicate based inhibitors are most effective in controlling copper pipe corrosion.

• Bulletin of the Korean Chemical Society
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• v.28 no.6
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• pp.947-952
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• 2007

Mycobacterium tuberculosis is a pathogen responsible for 2-3 million deaths every year worldwide. The emergence of drug-resistant and multidrug-resistant tuberculosis has increased the need to identify new antituberculosis targets. Acetohydroxy acid synthase, (AHAS, EC 2.2.1.6), an enzyme involved in branched-chain amino acid synthesis, has recently been identified as a potential anti-tuberculosis target. To assist in the search for new inhibitors and “receptor-based” design of effective inhibitors of tubercular AHAS (TbAHAS), we constructed four different structural models of TbAHAS and used one of the models as a target for virtual screening of potential inhibitors. The quality of each model was assessed stereochemically by PROCHECK and found to be reliable. Up to 89% of the amino acid residues in the structural models were located in the most favored regions of the Ramachandran plot, which indicates that the conformation of each residue in the models is good. In the models, residues at the herbicide-binding site were highly conserved across 39 AHAS sequences. The binding mode of TbAHAS with a sulfonylurea herbicide was characterized by 32 hydrophobic interactions, the majority of which were contributed by residue Trp516. The model based on the highest resolution X-ray structure of yeast AHAS was used as the target for virtual screening of a chemical database containing 8300 molecules with a heterocyclic ring. We developed a short list of molecules that were predicted to bind with high scores to TbAHAS in a conformation similar to that of sulfonylurea derivatives. Five sulfonylurea herbicides that were calculated to efficiently bind TbAHAS were experimentally verified and found to inhibit enzyme activity at micromolar concentrations. The data suggest that this time-saving and costeffective computational approach can be used to discover new TbAHAS inhibitors. The list of chemicals studied in this work is supplied to facilitate independent experimental verification of the computational approach.