https://oak.chosun.ac.kr/handle/2020.oak/18752 2025-08-30T03:14:34Z 2025-08-30T03:14:34Z Min-Jae Lee A-Young Sung https://oak.chosun.ac.kr/handle/2020.oak/18773 2024-04-26T06:13:39Z 2017-12-31T15:00:00Z

Title: Study on the Novel Materials Containing Nanoparticles and Isocyanate Group for Strength Improvement of Hydrogel Ophthalmic Lens Author(s): Min-Jae Lee; A-Young Sung Abstract: This study was planned to prepare the high strength hydrogel ophthalmic lens containing isocyanate group and nanoparticles. HDI with carbon nanoparticles were used as additives for the basic combination of HEMA, MA and MMA, and the materials were copolymerized with EGDMA as the cross-linking agent and AIBN as the initiator. The mixture was heated at 100oC for an hour to produce the high performance hydrogel ophthalmic lens by cast mold method. Measurement of the physical characteristics of the produced material showed that the refractive index was in the range of 1.4027~1.4600, water content 25.21~44.01%, contact angle 54.18~72.94°, visible light transmittance 53.03~92.09%, and tensile strength 0.1024~0.2359 kgf and breaking strength was 0.0872~0.2825 kgf. The results showed an increase of refractive index while the decrease in water content. And also, the breaking strength was highest when the addition ratio of HDI was 5%(wt). As a result of the absorbance measurement, no significant difference was observed in all the samples, so it can be judged that the stabilization of nanoparticles in the polymer was maintained.

2017-12-31T15:00:00Z Swapnil P. Bhujbal Seketoulie Keretsu Seung Joo Cho https://oak.chosun.ac.kr/handle/2020.oak/18772 2024-04-26T06:13:39Z 2017-12-31T15:00:00Z

Title: HQSAR Study on Imidazo[1,2-b]pyridazine Derivatives as p38 MAP Kinase Antagonists Author(s): Swapnil P. Bhujbal; Seketoulie Keretsu; Seung Joo Cho Abstract: p38 MAP kinase belongs to the Mitogen-activated protein (MAP) kinase family; a serine/threonine kinase. It plays an important role in intracellular signal transduction pathways. It is associated with the development and progression of various cancer types making it a crucial drug target. Present study involves the HQSAR analysis of recently reported imidazo[1,2-b]pyridazine derivatives as p38 MAP kinase antagonists. The model was generated with Atom (A), bond (B), chirality (Ch), and hydrogen (H) parameters and with different set of atom counts to improve the model. An acceptable HQSAR model (q2=0.522, SDEP=0.479, NOC=5, r2=0.703, SEE=0.378, BHL=97) was developed which exhibits good predictive ability. A contribution map for the most active compound (compound 17) illustrated that hydrogen and nitrogen atoms in the ring A and ring B, as well as nitrogen atom in ring C and the hydrogen atom in the ring D provided positive activity in inhibitory effect while, the least active compound (compound 05) possessed negative contribution to inhibitory effect. Hence, analysis of produced HQSAR model can provide insights in the designing potent and selective p38 MAP kinase antagonists.

2017-12-31T15:00:00Z Sindhiya Sridharan Ayesha Zainab Saifullah1 Santhosh Kumar Nagarajan Thirumurthy Madhavan https://oak.chosun.ac.kr/handle/2020.oak/18774 2024-04-26T06:13:39Z 2017-12-31T15:00:00Z

Title: Computational Analysis of Human Chemokine Receptor Type 6 Author(s): Sindhiya Sridharan; Ayesha Zainab Saifullah1; Santhosh Kumar Nagarajan; Thirumurthy Madhavan Abstract: CXCR6 is a major target in drug design as it is a determinant receptor in many diseases like AIDS, Type I Diabetes, some cancer types, atherosclerosis, tumor formation, liver disease and steatohepatitis. In this study, we propose the active site residues of CXCR6 molecule. We employed homology modelling and molecular docking approach to generate the 3D structure for CXCR6 and to explore its interaction between the antagonists and agonists. 3D models were generated using 14 different templates having high sequence identity with CXCR6. Surflex docking studies using pyridine and pyrimidine derivatives enabled the analysis of the binding site and finding of the important residues involved in binding. 3D structure of CXCL16, a natural ligand for CXCR6, was modelled using PHYRE and protein – protein docking was performed using ClusPro. The residues which were found to be crucial in interaction with the ligand are THR110, PHE113, TYR114, GLN160, GLN195, CYS251 and SER255. This study can be used as a guide for therapeutic studies of human CXCR6.

2017-12-31T15:00:00Z Thirumurthy Madhavan https://oak.chosun.ac.kr/handle/2020.oak/18769 2024-04-26T06:13:38Z 2017-12-31T15:00:00Z

Title: 3D Structure Prediction of Human 5-Hydroxytryptamine Receptor 7 (5-HT7R) Author(s): Thirumurthy Madhavan Abstract: 5-Hydroxytryptamine receptor 7 (5-HT7R) is one of G-Protein coupled receptors, which is found to be involved in the pathophysiology of various neurological disorders including depression, sleep disorders, memory deficiency and neuropathic pain. After activation of 5-HT7R by serotonin, it activates the production of the intracellular signaling molecule cyclic AMP. The availability of 3D structure of the receptor would enhance the development of new drugs. Hence, in the present study, homology modelling of human 5-hydroxytryptamine receptor 7 (5-HT7R) was performed using comparative modelling (Easy Modeller) and threading (I-TASSER) approaches. The generated models were validated using Ramachandran plot and ERRAT plot and the best models were selected based on the validation results. The 3D model developed here could be useful for identifying crucial residues and further docking study.

2017-12-31T15:00:00Z