• Journal of Integrative Natural Science
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• v.10 no.2
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• pp.85-94
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• 2017

Fibroblast growth factor receptor (FGFR) belongs to the family of receptor tyrosine kinase. They play important roles in cell proliferation, differentiation, development, migration, survival, wound healing, haematopoiesis and tumorigenesis. FGFRs are reported to cause several types of cancers in humans which make it an important drug target. In the current study, HQSAR analysis was performed on a series of recently reported 1H-Pyrazolo [3,4-b]pyridine derivatives as FGFR antagonists. The model was developed with Atom (A) and bond (B) connection (C), chirality (Ch), hydrogen (H) and donor/acceptor (DA) parameters and with different set of atom counts to improve the model. A reasonable HQSAR model ($q^2=0.701$, SDEP=0.654, NOC=5, $r^2=0.926$, SEE=0.325, BHL=71) was generated which showed good predictive ability. The contribution map depicted the atom contribution in inhibitory effect. A contribution map for the most active compound (compound 24) indicated that hydrogen and nitrogen atoms in the side chains of ring B as well as hydrogen atoms in the side chain of ring C and the nitrogen atom in the ring D contributed positively to the activity in inhibitory effect whereas, the lowest active compound (compound 04) showed negative contribution to inhibitory effect. Thus results of our study can provide insights in the designing potent and selective FGFR kinase inhibitors.

• The Journal of the Korea Contents Association
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• v.10 no.8
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• pp.104-110
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• 2010

In the field of biotechnology, computer can play varied roles such as the ordinal analysis, ordianl comparison, nutation tracing, analogy comparison for drug design, estimation of protein function, cell mechanism, and verifying the role of a gene for preventing diseases. Additionally, by constructing database, it can provide an application for the cloning process in other data researches, and be used as a basis for the comparative genetics. For the most of researcher about biotechnology, they need to use the tool that can do all of job above. This study is focused on looking into problems of existing systems to analysis bio data, and designing an improved analyzing system that can propose a solution. In additional, it has been considered to improve the performance of each constituent, and all the constituents, which have been separately processed, are combind in a single system to get over old problems of the existing system.

• Journal of Acupuncture Research
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• v.20 no.4
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• pp.42-52
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• 2003

Objective: For designing an optimal countermeasure against ageing and ageing related disease, it is necessary to understand the ageing mechanism and other reactive species. Free radicals are associated with the mechanisam of biological ageing and age-related diseases. This study was performed to identifiy the scavenging effect of Radix Cynanchi Wilfordii Herbal-Acupunture Solution(RCWHA) on Nitric Oxide(NO), 1, 1-diphenyl-2-picryl-hydrazyl(DPPH) and Interleukin-4(IL -4). Methods: The activity to scavenge DPPH radicals and NO was observed in vitro, We evaluated the antioxidant activity of RCWHA by using DPPH or NO free radical method. Also the inhibitory effect on IL-4 in RCWHA was observed in vitro, Results: The followings are the summary of the results; (1) There is a significant scavenging effect of RCWHA on NO in 0.1mg/ml and 10mg/ml group after 24hrs. (2) There is no significant scavenging effect of RCWHA on DPPH. (3) There is a significant scavenging effect of RCWHA on IL-4 in $10{\mu}g/m{\ell}$ and $100{\mu}g/m{\ell}$ group. Conclusions: These findings indicate that RCWHA can be used as antioxidant or antiimflamatory drug. But further study is needed about the effect of RCWHA.

• Asian Pacific Journal of Cancer Prevention
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• v.15 no.5
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• pp.2027-2033
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• 2014

Background: We aimed to assess RET proto-oncogene polymorphisms in three different Iranian families with medullary thyroid cancer (MTC), and performed molecular dynamics simulations and free energy stability analysis of these mutations. Materials and Methods: This study consisted of 48 patients and their first-degree relatives with MTC confirmed by pathologic diagnosis and surgery. We performed molecular dynamics simulations and free energy stability analysis of mutations, and docking evaluation of known RET proto-oncogene inhibitors, including ZD-6474 and ponatinib, with wild-type and mutant forms. Results: The first family consisted of 27 people from four generations, in which nine had the C.G2901A (P.C634Y) mutation; the second family consisted of six people, of whom three had the C.G2901T (P.C634F) mutation, and the third family, who included 12 individuals from three generations, three having the C.G2251A (P.G691S) mutation. The automated 3D structure of RET protein was predicted using I-TASSER, and validated by various protein model verification programs that showed more than 96.3% of the residues in favored and allowed regions. The predicted instability indices of the mutated structures were greater than 40, which reveals that mutated RET protein is less thermo-stable compared to the wild-type form (35.4). Conclusions: Simultaneous study of the cancer mutations using both in silico and medical genetic procedures, as well as onco-protein inhibitor binding considering mutation-induced drug resistance, may help in better overcoming chemotherapy resistance and designing innovative drugs.

• Korean Journal of Acupuncture
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• v.20 no.1
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• pp.45-55
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• 2003

Backgrounds : It has been investigated about ageing theory. However, ageing mechanism still remains to be unknown. Since Harman proposes that ageing and ageing related diseases might be due to oxidative damage and these are modifiable by genetic and environmental factors. For designing an optimal nutritional countermeasure against ageing and ageing related disease, it is necessary to understand the ageing mechanism and other reactive species. Objectives : Schizandra Chinesis has been clinically used to treat brain disease, respiratory or inflammatory disease etc. in Oriental medicine. The purpose of this study is to investigate the scavenging effect of Schizandrae Fructus herbal-acupuncture solution(SFHA) on NO, DPPH and IL-4. Results : The results are summarized as follows; (1) There is a significant scavenging effect of SFHA on NO in 0.1, 1, 10mg/ml group after 24hrs. (2) There is a significant scavenging effect of SFHA on DPPH in 1, $10{\mu}g/ml$ group. (3) There is a significant inhibitory effect of SFHA on IL-4 in 1, 10, $100{\mu}g/ml$ group. Conclusions : These findings indicate that SFHA can be used as antioxidant or antiimflammatory drug. But further study is needed about the effect of SFHA.

• Journal of Pharmaceutical Investigation
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• v.36 no.5
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• pp.321-329
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• 2006

Albuterol, a selective ${\beta}_2$-adrenergic receptor stimulant, has been introduced as a potent bronchodilator for patients with bronchial asthma, chronic obstructive bronchial disease, chronic bronchitis and pulmonary emphysema. The percutaneous permeation of albuterol sulfate was investigated in hairless mouse skin in vitro with and without pretreatment with enhancers. The enhancing effects of ethanol and various penetration enhancers such as terpenes, non-ionic surfactants, pyrrolidones, and fatty acids on the permeation of albuterol sulfate were evaluated using Franz diffusion cells. Among terpenes studied, 1,8-cineole was the most effective enhancer, which increased the permeability of albuterol sulfate approximately 33-fold compared with the control without enhancer pretrement, followed by d-limonene with enhancement ratio of 21.79. 2-Pyrrolidone-5-carboxylic acid increased the permeability of albuterol sulfate approximately 5.5-fold compared with the control. Other pyrrolidones tested showed only slight permeability enhancing effect with enhancement ratio less than 2.8. Nonionic surfactants showed moderate enhancing effects. Lauric acid increased the permeability of albuterol sulfate approximately 30-fold with decreasing the lag time from 2.85 to 0.64 hr. Oleic acid and linoleic acid showed enhancement ratio of 24.55 and 22.91, respectively. These findings would allow a more rational approach for designing formulations for the transdermal delivery of albuterol sulfate and similar drugs.

• Genomics & Informatics
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• v.13 no.2
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• pp.53-59
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• 2015

In developing countries threat of cholera is a significant health concern whenever water purification and sewage disposal systems are inadequate. Vibrio cholerae is one of the responsible bacteria involved in cholera disease. The complete genome sequence of V. cholerae deciphers the presence of various genes and hypothetical proteins whose function are not yet understood. Hence analyzing and annotating the structure and function of hypothetical proteins is important for understanding the V. cholerae. V. cholerae O139 is the most common and pathogenic bacterial strain among various V. cholerae strains. In this study sequence of six hypothetical proteins of V. cholerae O139 has been annotated from NCBI. Various computational tools and databases have been used to determine domain family, protein-protein interaction, solubility of protein, ligand binding sites etc. The three dimensional structure of two proteins were modeled and their ligand binding sites were identified. We have found domains and families of only one protein. The analysis revealed that these proteins might have antibiotic resistance activity, DNA breaking-rejoining activity, integrase enzyme activity, restriction endonuclease, etc. Structural prediction of these proteins and detection of binding sites from this study would indicate a potential target aiding docking studies for therapeutic designing against cholera.

• Journal of Korean Society of Water and Wastewater
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• v.33 no.1
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• pp.63-77
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• 2019

Traditional wastewater research mainly focuses on 1) estimating the amount of waste entering sewage treatment facilities, 2) evaluating the treatment efficiency of sewage facilities, 3) investigating the role of sewage treatment effluent as a point source, and 4) designing and managing sewage treatment facilities. However, since wastewater contains a variety of chemical and biological substances due to the discharge of human excreta and material used for daily living into it, the collective constituents of wastewater are likely a reflection of a community's status. Wastewater-based epidemiology (WBE), an emerging and promising field of study that involves the analysis of substances in wastewater, can be applied to monitor the state of a defined community. WBE provides opportunities for exploiting indicators in wastewater to fulfill various objectives. The data analyzed under WBE are those pertaining to selected natural and anthropogenic substances in wastewater that are a result of the discharge of metabolic excreta, illicit or legal drugs, and infectious pathogens into the wastewater. This paper reviews recent progress in WBE and addresses current challenges in the field. It primarily discusses several representative applications including the investigation of drug consumption across different communities and the management of community disease and health. Finally, it summarizes established indicators for WBE.

• Journal of Digital Convergence
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• v.20 no.2
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• pp.311-316
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• 2022

Tertomotide is a peptide fragment of hTert and developed as a vaccine targeting cancer. It has been reportedly known to ameliorate inflammatory symptoms in clinical tests and in animal studies. However, the therapeutic potential of tertomotide is not supposed to be comparable to conventional anti-inflammatory agents due to low druglikeness In order to treat inflammations present in varous lesion, the structure of tertomotide is required to be modified. In this context, 12 octapeptides were designed based on tertomotide and screened for the anti-inflammatory activity in activated monocyte by measuring TNF-α secretion. As a result, some octapeptides has been exerted anti-inflammatory activity, comparable to or better than tertomotide and estradiol, known anti-inflammatory agents. This result is supposed to be helpful for developing therapeutic purpose exploiting other tertomotide-derived peptides and would be an example for designing novel drug based on active biomolecules with undesirable structure by convergence study of biology and computer-aided medicinal chemistry.

• Clinical and Experimental Vaccine Research
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• v.12 no.3
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• pp.179-192
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• 2023

The world has watched the emergence of numerous animal viruses that may threaten animal health which were added to the perpetual growing list of animal pathogens. This emergence drew the attention of the experts and animal health groups to the fact that it has become necessary to work on vaccine development. The current review aims to explore the perspective vaccines for emerging viral diseases in farm animals. This aim was fulfilled by focusing on modern technologies as well as next generation vaccines that have been introduced in the field of vaccines, either in clinical developments pending approval, or have already come to light and have been applied to animals with acceptable results such as viral-vectored vaccines, virus-like particles, and messenger RNA-based platforms. Besides, it shed the light on the importance of differentiation of infected from vaccinated animals technology in eradication programs of emerging viral diseases. The new science of nanomaterials was explored to elucidate its role in vaccinology. Finally, the role of Bioinformatics or Vaccinomics and its assist in vaccine designing and developments were discussed. The reviewing of the published manuscripts concluded that the use of conventional vaccines is considered an out-of-date approach in eliminating emerging diseases. However, these types of vaccines are considered the suitable plan especially in countries with few resources and capabilities. Piloted vaccines that rely on genetic-based technologies with continuous analyses of current viruses should be the aim of future vaccinology. Smart genomics of emerging viruses will be the gateway to choosing appropriate vaccines, regardless of the evolutionary rates of viruses.