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Grb2 is an adapter protein involved in the signal transduction and cell communication. The Grb2 is responsible for initiation of kinase signaling by Ras activation which leads to the modification in transcription. Ligand based pharmacophore approach was applied to built the suitable pharmacophore model for Grb2. The best pharmacophore model was selected based on the statistical values and then validated by Fischer’s randomization method and test set. Hypo1 was selected as a best pharmacophore model based on its statistical values like high cost difference (182.22), lowest RMSD (1.273), and total cost (80.68). It contains four chemical features, one hydrogen bond acceptor (HBA), two hydrophobic (HY), and one ring aromatic (RA). Fischer’s randomization results also shows that Hypo1 have a 95% significant level. The correlation coefficient of test set was 0.97 which was close to the training set value (0.94). Thus Hypo1 was used for virtual screening to find the potent inhibitors from various chemical databases. The screened compounds were filtered by Lipinski’s rule of five, ADMET and subjected to molecular docking studies. Totally, 11 compounds were selected as a best potent leads from docking studies based on the consensus scoring function and critical interactions with the amino acids in Grb2 active site.

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기사명 저자명 페이지 원문 목차
EQCM studies on anodic oxidation of metallic molybdenum in 0.5 M sulfuric acid solution : molybdenum blue formation Sang-Min Lee, Chi-Woo Lee pp.1443-1444

Characterization of a naturally occurring mutation(Ile-358 to Thr) in human dihydrolipoamide dehydrogenase of a patient with leigh syndrome Lin Yuan, Hakjung Kim pp.1445-1446

Revisit of unusual ruthenium(III) dichloro complex Won K. Seok, Na Yeon Kim, Hoseop Yun pp.1447-1448

Competitive hydrogen transfer reactions between Fe⁺ and C₂H₅OC₂H₅ Dababrata Paul, Kiryong Hong, Tae Kyu Kim, Jun-Sik Oh, Kwang-Woo Jung pp.1449-1450

Synthesis and characterization of a tetrathiafulvalene-based polymer Sehyun Lee, Lei Wang, Seok-Ho Hwang, Myong-Hoon Lee, Kwang-Un Jeong pp.1451-1456

Solvent free N-heterocyclization of primary amines to N-substituted azacyclopentanes using hydrotalcite as solid base catalyst Manish Dixit, Manish Mishra, P.A. Joshi, D.O. Shah pp.1457-1464

Electrochemical thinning for anodic aluminum oxide and anodic titanium oxide Inhae Lee, Yunkyoung Jo, Yong-Tae Kim, Yongsug Tak, Jinsub Choi pp.1465-1469

Metabolic pharmacokinetics in rats : differences between pure amygdalin and amygdalin in a decoction of peach seeds Jianbo Chen, Xitao Yan, Tae Jin Kim, Sang Hyuck Kim, Kyung Tae Kim, Young Keun Lee, Cheong Weon Cho, Jongsuep Baek, Yong Ki Park, Young Ho Kim … [et al.] pp.1470-1474

Binding model of amentoflavone to peroxisome proliferator-activated receptor γ Jee-Young Lee, Jin-Kyoung Kim, Sojung Lee, Eunjung Lee, Soyoung Shin, Qinglong Jin, Do-Young Yoon, Eun-Rhan Woo, Yangmee Kim pp.1475-1479

A series of N-alkylimidazolium propylhexanamide iodide for dye-sensitized solar cells Sung-Su Lim, Subrata Sarker, Sunyoung Yoon, Narayan Chandra Deb Nath, Young Jun Kim, Heung Bae Jeon, Jae-Joon Lee pp.1480-1484

Electrochemical immunoassay for detecting hippuric acid based on the interaction of osmium-antigen conjugate films with antibody on screen printed carbon electrodes Young-Bong Choi, Won-Yong Jeon, Hyug-Han Kim pp.1485-1490

InP quantum dot-organosilicon nanocomposites Mai Xuan Dung, Priyaranjan Mohapatra, Jin-Kyu Choi, Jin-Hyeok Kim, Sohee Jeong, Hyun-Dam Jeong pp.1491-1504

Synthesis and biological evaluation of heterocyclic ring-substituted chalcone derivatives as novel inhibitors of protein tyrosine phosphatase 1B Zhen-Hua Chen, Liang-Peng Sun, Wei Zhang, Qiang Shen, Li-Xin Gao, Jia Li, Hu-Ri Piao pp.1505-1508

Inclusion extraction of alkali metals by emulsion liquid membranes and nano-baskets of p-tert-calix[4]arene bearing Di-[N-(X)sulfonyl carboxamide] and Di-(1-propoxy) in ortho-cone conformation Bahram Mokhtari, Kobra Pourabdollah pp.1509-1516

Anion effects on crystal structures of Cd^II^ complexes containing 2,2'-bipyridine : photoluminescence and catalytic reactivity Hyun Min Park, In Hong Hwang, Jeong Mi Bae, Young Dan Jo, Cheal Kim, Ha-Yeong Kim, Youngmee Kim, Sung-Jin Kim pp.1517-1522

Preparation and characterization of carbon nanotubes-based composite electrodes for electric double layer capacitors Min-Kang Seo, Soo-Jin Park pp.1523-1526

A new variable selection method based on mutual information maximization by replacing collinear variables for nonlinear quantitative structure-property relationship models Jahan B. Ghasemi, Ehsan Zolfonoun pp.1527-1535

Establishment of an efficient and stable transgene expression system in chicken primordial germ cells Ju Hyun Yang, Sungtae Kim pp.1536-1540

Nucleation and growth of bismuth electrodeposition from alkaline electrolyte Longping Zhou, Yatang Dai, Huan Zhang, Yurong Jia, Jie Zhang, Changxiong Li pp.1541-1546

Kinetics and reaction mechanism of aminolyses of benzyl 2-pyridyl carbonate and t-butyl 2-pyridyl carbonate in acetonitrile Ae Ri Bae, Ik-Hwan Um pp.1547-1550

Kinetics and reaction mechanism of aminolyses of benzyl 2-pyridyl carbonate and t-butyl 2-pyridyl carbonate : effect of nonleaving group on reactivity and reaction mechanism Ji-Sun Kang, Jae-In Lee, Ik-Hwan Um pp.1551-1555

A simple and efficient one-pot three-component synthesis of propargylamines using bismuthIII chloride Abbas Teimouri, Alireza Najafi Chermahini, M. Narimani pp.1556-1560

Structure and intramolecular proton transfer of alanine radical cations Gab-Yong Lee pp.1561-1565

Composite of indium and polysorbate 20 as inhibitor for zinc corrosion in alkaline solution Xiaoping Li, Man Liang, Hebing Zhou, Qiming Huang, Dongsheng Lv, Weishan Li pp.1566-1570

Design and synthesis of an anticancer diarylurea derivative with multiple-kinase inhibitory effect Mohammed I. El-Gamal, Chang-Hyun Oh pp.1571-1576

Developing 500 MHz NB ^19^F-^13^C double resonance solid-state NMR probe for in-situ analysis of liquid crystal display panels Sung-Sub Choi, Ji-Ho Jung, Yu-Geun Park, Tae-Joon Park, Gregory Hyung Jin Park, Yongae Kim pp.1577-1580

Three cyanide-bridged one-dimensional single chain Co^III^-Mn^II^ complexes : rational design, synthesis, crystal structures and magnetic properties Daopeng Zhang, Zengdian Zhao, Ping Wang, Xia Chen pp.1581-1585

Design, synthesis and In vitro cytotoxic activity evaluation of new mannich bases Bui Trung Hieu, Le Thi Thuy, Vu Thu Thuy, Hoang Xuan Tien, Luu Van Chinh, Vu Dinh Hoang, Tran Khac Vu pp.1586-1592

Conducting polymer-silica composites for immobilization of enzymes Sang Woon Kwon, Bo Ock Jeong, Eun Hee Lee, Yong Shin Kim, Yongju Jung pp.1593-1596

The identification of binding mode for Arabidopsis thaliana 7-keto-8-aminopelargonic acid synthaseAtKAPAS inhibitors Jae Eun Cho, Sun Young Kang, Jung Sup Choi, Young Kwan Ko, In Taek Hwang, Nam Sook Kang pp.1597-1602

Anempirical relation between the plating process and accelerator coverage in Cu superfilling Sung Ki Cho, Myung Jun Kim, Hyo-Chol Koo, Soo-Kil Kim, Jae Jeong Kim pp.1603-1607

Highly sensitive fluorescent probes for the quantitative determination of singlet oxygen(¹O₂) Syed Rahin Ahmed, Kwangnak Koh, Nam Lyong Kang, Jaebeom Lee pp.1608-1612

Preparation of Ni nanoparticles-TiO₂nanotube arrays composite and its application for electrochemical capacitor Huichao He, Yunhuai Zhang, Peng Xiao, Yannan Yang, Qing Lou, Fei Yang pp.1613-1616

Preparation and catalytic application of Pd loaded titanate nanotube : highly selective α alkylation of ketones with alcohols Jum Suk Jang, Min Serk Kwon, Hyun Gyu Kim, Jae Wook Park, Jae Sung Lee pp.1617-1621

Facile synthesis of 5-hydroxy-3-pyrrolin-2-ones from morita-baylis-hillman adducts Cheol Hee Lim, Sung Hwan Kim, Jae Nyoung Kim pp.1622-1626

Synthesis and properties of diarylamino-substituted linear and dendritic oligoquinolines for organic light-emitting diodes Ho-Joon Lee, Hao Xin, Seong-Min Park, Seog-Il Park, Taek Ahn, Dong-Kyu Park, Samson A. Jenekhe, Tae-Woo Kwon pp.1627-1637

Preparation and characterization of PEG/PLA multiblock and triblock copolymer Hesong Zhao, Zhun Liu, Sanghyuk Park, Sang-Ho Kim, Jung-Hyun Kim, Longhai Piao pp.1638-1642

A highly efficient and selective nickel/clay catalyst for liquid phase hydrogenation of maleic anhydride to succinic anhydride Weiping Tian, Shaofei Guo, Li Shi pp.1643-1646

Liquid crystalline properties of dimers having o-, m- and p- positional molecular structures Joo-Hoon Park, Ok-Byung Choi, Hwan Myung Lee, Jin-Young Lee, Sung-Jo Kim, Eun-Hee Cha, Dong-Hyun Kim, B. Ramaraj, Bong-Keun So, Kyung-Hwan Kim … [et al.] pp.1647-1652

Highly crystalline 2,6,9,10-tetrakis((4-hexylphenyl)ethynyl)anthracene for efficient solution-processed field-effect transistors Jung A Hur, Jicheol Shin, Tae Wan Lee, Kyung Hwan Kim, Min Ju Cho, Dong Hoon Choi pp.1653-1658

Poly(1,4-bis((E)-2-(3-dodecylthiophen-2-yl)vinyl)benzene) for solution processable organic thin film transistor Chul Young Kim, Jonggwang Park, Min Jung Lee, Soon-Ki Kwon, Jin Hak Kim, Sung-Chul Shin, Yun-Hi Kim pp.1659-1663

Open tubular molecular imprinted polymer fabricated in silica capillary for the chiral recognition of neutral enantiomers in capillary electrochromatography Song Hee Yang, Shabi Abbas Zaidi, Won Jo Cheong, Zeid A. Alothman, Abdullah M. Almajid pp.1664-1668

Synthesis of montmorillonite/poly(acrylic acid-co-2-acrylamido-2-methyl-1-propane sulfonic acid) superabsorbent composite and the study of its adsorption Linhui Zhu, Lili Zhang, Yaoji Tang pp.1669-1674

Cyanide-bridged Cr^III^Mn^II^ binuclear complexes Based on [Mn(phen)₂]^2+^ and dicyanidechromate(III) building blocks : syntheses, crystal structures, and magnetic properties Guo-Ling Li, Li-Fang Zhang, Zhong-Hai Ni, Hui-Zhong Kou, Ai-Li Cui pp.1675-1680

Rapid and sensitive analysis of valproic acid in human red blood cell by LC-MS/MS Songhee Han, Yunjeong Kim, Ji-Young Jeon, Minho Hwang, Yong-Jin Im, Jin-A Jeong, Chang-Seop Lee, Soo-Wan Chae, Min-Gul Kim pp.1681-1685

Excess volumes, speeds of sound, isentropic compressibilities and viscosities of binary mixtures of N-ethyl aniline with some aromatic ketones at 303.15 K M. Gowrisankar, S. Sivarambabu, P. Venkateswarlu, K. Siva Kumar pp.1686-1692

Determination of MTBE, TBA and BTEX in soil by headspace gas chromatography-mass spectrometry Ho-Sang Shin pp.1693-1698

Control of particle characteristics in the preparation of TiO₂nano particles assisted by microwave Hanbin Lee, Minsik Choi, Younhee Kye, Myoungyoung An, Ik Mo Lee pp.1699-1702

Study of thiazoline derivatives for the design of optimal fungicidal compounds using multiple linear regression(MLR) Won Seok Han, Jin Kak Lee, Jun-Seok Lee, Hoh-Gyu Hahn, Chang No Yoon pp.1703-1706

Ligand based pharmacophore identification and molecular docking studies for Grb2 inhibitors Venkatesh Arulalapperumal, Sugunadevi Sakkiah, Sundarapandian Thangapandian, Yuno Lee, Chandrasekaran Meganathan, Swan Hwang, Keun Woo Lee pp.1707-1714

The chirality conversion reagent for amino acids based on salicyl aldehyde Hoe-Jin Yoon, Hein Jung, Yun Soo Ahn, Raju Nandhakumar, Jun Soo Kim, Kwan Mook Kim pp.1715-1718

High hydrogen capacity and reversibility of K-decorated silicon materials Min Hee Park, Seol Ryu, Young-Kyu Han, Yoon Sup Lee pp.1719-1721

Theoretical explanation of the peak splitting of tobacco-specific N-nitrosamines in HPLC Juxing Jiang, Liangchun Li, Mingfeng Wang, Jianjun Xia, Wenyuan Wang, Xiaoguang Xie pp.1722-1728

Correlation of the rates on solvolysis of 2,2,2-trichloroethyl cloroformate using the extended Grunwald-Winstein equation Han Joong Koh, Suk Jin Kang pp.1729-1733

Voltammetric studies of anion transfer reactions across a microhole array-water/PVC-NPOE gel interface Md. Mokarrom Hossain, Hubert H. Girault, Hye Jin Lee pp.1734-1740

Syntheses and characterizations of serine and threonine capped water-dispersible ZnS:Mn nanocrystals and comparison study of toxicity effects on the growth of E. coli by the methionine, serine, threonine, and valine capped ZnS:Mn nanocrystals Eunju Lim, Sanghyun Park, Jonghoe Byun, Cheong-Soo Hwang pp.1741-1747

Tip-enhanced raman scattering with a nanoparticle-functionalized probe Chan-Gyu Park, Ju-Young Kim, Eunbyoul Lee, Han-Kyu Choi, Won-Hwa Park, Jinwook Kim, Zee Hwan Kim pp.1748-1752

Enhancement in the photocatalytic activity of Au@TiO₂nanocomposites by oretreatment of TiO₂with UV light Mohammad Mansoob Khan, Shafeer Kalathil, Jintae Lee, Moo Hwan Cho pp.1753-1758

Synthesis and crystal structure of a new quaternary nitride, Li₄Ca_13_Ge₆N_18_ Dong Gon Park, Francis J. Di Salvo pp.1759-1761

Synthesis of silver nanowires by reduction of silver-pyridine complexes Myeong-Jin Kim, Young-Sik Cho, Young-Duk Huh pp.1762-1764

Selective gene regulation by vitamin D receptor via protein kinase A activation in mouse osteoblastic cells Chul Park, Songhee Kim, Sungtae Kim pp.1765-1768

2,4-diaryl-5,6-dihydro-1,10-phenanthrolines with furyl or thienyl moiety at 4-position : synthesis, topoisomerase I and II inhibitory activity, and cytotoxicity Pritam Thapa, Eung-Seok Lee pp.1769-1772

Synthesis of 7-O-(2-amino)ethyl flavones and their antioxidant activities Seung Hwan Kim, Hyoung Ja Kim, Changbae Jin, Yong Sup Lee pp.1773-1776

Assembling gold nanocubes into a nanoporous gold material Ju-Hwan Oh, Young Jin Sa, Sang Hoon Joo, Jae-Seung Lee pp.1777-1780

An efficient synthesis of various γ-substituted butenolides from Morita-Baylis-Hillman adducts Jin Woo Lim, Ko Hoon Kim, Se Hee Kim, Jae Nyoung Kim pp.1781-1784

All-purpose copper catalyst for coupling of ammonium salts and 1⁰ and 2⁰ amines with boronic acid Xi Wang, Hye-Young Jang pp.1785-1787

The electrochemical properties of the porous nafion membrane for proton exchange membrane fuel cellsPEMFCs Jongwon Lee, Cheol-Woo Yi, Keon Kim pp.1788-1790

α-glucosidase inhibitors from the roots of Sophora flavescens Tran Hong Quang, Nguyen Thi Thanh Ngan, Chau Van Minh, Phan Van Kiem, Bui Huu Tai, Nguyen Phuong Thao, Se-Uk Kwon, Young-Mi Lee, Hee-Kyoung Kang, Young Ho Kim pp.1791-1793

N-heterocyclic carbene adducts of cyclopalladated ferrocenylpyridine complex : synthesis, structural characterization and application in heck reaction Chen Xu, Lu-Meng Duan, Zhen Li, Hong-Mei Li, Xin-Hua Lou, Zhi-Qiang Wang, Yao-Ting Fan pp.1794-1796

참고문헌 (38건) : 자료제공( 네이버학술정보 )

참고문헌 목록에 대한 테이블로 번호, 참고문헌, 국회도서관 소장유무로 구성되어 있습니다.
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